N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide

C106H98ClF7N20O24S8 — CID 161179798

IUPACN-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(NCc1ccncc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1ccnc2cc(Cl)ccc12)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1cnoc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1ncco1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1nccs1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C1CC=CC=C1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H15ClFN3O3S.2C16H16FN3O3S.C16H15FN2O4S.2C13H12FN3O4S.C13H12FN3O3S2/c20-12-2-5-14-16(7-8-22-17(14)10-12)23-19(25)11-1-6-15(21)18(9-11)28(26,27)24-13-3-4-13;17-14-4-1-12(9-15(14)24(22,23)20-13-2-3-13)16(21)19-10-11-5-7-18-8-6-11;17-14-6-3-12(8-15(14)24(22,23)20-13-4-5-13)16(21)19-10-11-2-1-7-18-9-11;17-12-8-5-10(9-15(12)24(22,23)19-11-6-7-11)16(21)18-13-3-1-2-4-14(13)20;14-11-4-1-8(13(18)16-10-6-15-21-7-10)5-12(11)22(19,20)17-9-2-3-9;2*14-10-4-1-8(12(18)16-13-15-5-6-21-13)7-11(10)22(19,20)17-9-2-3-9/h1-2,5-10,13,24H,3-4H2,(H,22,23,25);1,4-9,13,20H,2-3,10H2,(H,19,21);1-3,6-9,13,20H,4-5,10H2,(H,19,21);1-3,5,8-9,11,19H,4,6-7H2,(H,18,21);1,4-7,9,17H,2-3H2,(H,16,18);2*1,4-7,9,17H,2-3H2,(H,15,16,18)
InChIKeyUSHINTXNTNPUEW-UHFFFAOYSA-N
MW2461.04 g/mol
LogP13.30
Rot. Bonds37

About N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide

N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 161179798) has the molecular formula C106H98ClF7N20O24S8 and a molecular weight of 2461.04 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID161179798
Molecular FormulaC106H98ClF7N20O24S8
Molecular Weight2461.04 g/mol
Exact Mass2458.44
IUPAC NameN-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(NCc1ccncc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1ccnc2cc(Cl)ccc12)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1cnoc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1ncco1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1nccs1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C1CC=CC=C1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H15ClFN3O3S.2C16H16FN3O3S.C16H15FN2O4S.2C13H12FN3O4S.C13H12FN3O3S2/c20-12-2-5-14-16(7-8-22-17(14)10-12)23-19(25)11-1-6-15(21)18(9-11)28(26,27)24-13-3-4-13;17-14-4-1-12(9-15(14)24(22,23)20-13-2-3-13)16(21)19-10-11-5-7-18-8-6-11;17-14-6-3-12(8-15(14)24(22,23)20-13-4-5-13)16(21)19-10-11-2-1-7-18-9-11;17-12-8-5-10(9-15(12)24(22,23)19-11-6-7-11)16(21)18-13-3-1-2-4-14(13)20;14-11-4-1-8(13(18)16-10-6-15-21-7-10)5-12(11)22(19,20)17-9-2-3-9;2*14-10-4-1-8(12(18)16-13-15-5-6-21-13)7-11(10)22(19,20)17-9-2-3-9/h1-2,5-10,13,24H,3-4H2,(H,22,23,25);1,4-9,13,20H,2-3,10H2,(H,19,21);1-3,6-9,13,20H,4-5,10H2,(H,19,21);1-3,5,8-9,11,19H,4,6-7H2,(H,18,21);1,4-7,9,17H,2-3H2,(H,16,18);2*1,4-7,9,17H,2-3H2,(H,15,16,18)
InChIKeyUSHINTXNTNPUEW-UHFFFAOYSA-N
XLogP13.30
TPSA647.58 Ų
H-Bond Donors14
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002461.04
LogP ≤ 513.30
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1031

Analyze N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide with MolForge

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Related Compounds

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 157349769
5-[[(2R)-butan-2-yl]sulfamoyl]-N-(7-chloroquinolin-4-yl)-2-fluorobenzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,2-oxazol-4-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-oxazol-2-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide;5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 158467776

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide (CID 161179798) is N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide is O=C(NCc1cccnc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(NCc1ccncc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1ccnc2cc(Cl)ccc12)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1cnoc1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1ncco1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C(Nc1nccs1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.O=C1CC=CC=C1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is USHINTXNTNPUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S.2C16H16FN3O3S.C16H15FN2O4S.2C13H12FN3O4S.C13H12FN3O3S2/c20-12-2-5-14-16(7-8-22-17(14)10-12)23-19(25)11-1-6-15(21)18(9-11)28(26,27)24-13-3-4-13;17-14-4-1-12(9-15(14)24(22,23)20-13-2-3-13)16(21)19-10-11-5-7-18-8-6-11;17-14-6-3-12(8-15(14)24(22,23)20-13-4-5-13)16(21)19-10-11-2-1-7-18-9-11;17-12-8-5-10(9-15(12)24(22,23)19-11-6-7-11)16(21)18-13-3-1-2-4-14(13)20;14-11-4-1-8(13(18)16-10-6-15-21-7-10)5-12(11)22(19,20)17-9-2-3-9;2*14-10-4-1-8(12(18)16-13-15-5-6-21-13)7-11(10)22(19,20)17-9-2-3-9/h1-2,5-10,13,24H,3-4H2,(H,22,23,25);1,4-9,13,20H,2-3,10H2,(H,19,21);1-3,6-9,13,20H,4-5,10H2,(H,19,21);1-3,5,8-9,11,19H,4,6-7H2,(H,18,21);1,4-7,9,17H,2-3H2,(H,16,18);2*1,4-7,9,17H,2-3H2,(H,15,16,18).
What are the key properties of N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide?
N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 2461.04 g/mol, XLogP of 13.30, 37 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-3-(cyclopropylsulfamoyl)-4-fluorobenzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2-oxazol-4-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-oxazol-2-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(6-oxocyclohexa-1,3-dien-1-yl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-3-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(pyridin-4-ylmethyl)benzamide;3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 161179798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).