4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C21H21ClN4O4S — CID 38853493

IUPAC4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21ClN4O4S/c22-18-7-5-15(12-19(18)31(28,29)24-14-17-4-3-11-30-17)21(27)25-16-6-8-20(23-13-16)26-9-1-2-10-26/h3-8,11-13,24H,1-2,9-10,14H2,(H,25,27)
InChIKeyNCHFGXUXHBWATA-UHFFFAOYSA-N
MW460.94 g/mol
LogP3.66
Rot. Bonds7

About 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 38853493) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID38853493
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21ClN4O4S/c22-18-7-5-15(12-19(18)31(28,29)24-14-17-4-3-11-30-17)21(27)25-16-6-8-20(23-13-16)26-9-1-2-10-26/h3-8,11-13,24H,1-2,9-10,14H2,(H,25,27)
InChIKeyNCHFGXUXHBWATA-UHFFFAOYSA-N
XLogP3.66
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 24672563
4-chloro-N-(3-cyanophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36717175
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
4-(furan-2-ylmethylsulfamoyl)-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 78878198
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 38853493) is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is NCHFGXUXHBWATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c22-18-7-5-15(12-19(18)31(28,29)24-14-17-4-3-11-30-17)21(27)25-16-6-8-20(23-13-16)26-9-1-2-10-26/h3-8,11-13,24H,1-2,9-10,14H2,(H,25,27).
What are the key properties of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 460.94 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 38853493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).