N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide

C24H15Cl2FN4O3S2 — CID 90732905

IUPACN-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(F)c(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12)c1cccs1
InChIInChI=1S/C24H15Cl2FN4O3S2/c25-17-3-1-5-19(20(17)26)36(33,34)31-14-8-6-13(7-9-14)15-10-11-16-22(21(15)27)29-30-23(16)28-24(32)18-4-2-12-35-18/h1-12,31H,(H2,28,29,30,32)
InChIKeyMCRWRYVSYCMVAE-UHFFFAOYSA-N
MW561.45 g/mol
LogP6.79
Rot. Bonds6

About N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide

N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide (PubChem CID 90732905) has the molecular formula C24H15Cl2FN4O3S2 and a molecular weight of 561.45 g/mol. Its IUPAC name is N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
PubChem CID90732905
Molecular FormulaC24H15Cl2FN4O3S2
Molecular Weight561.45 g/mol
Exact Mass559.99
IUPAC NameN-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(F)c(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12)c1cccs1
InChIInChI=1S/C24H15Cl2FN4O3S2/c25-17-3-1-5-19(20(17)26)36(33,34)31-14-8-6-13(7-9-14)15-10-11-16-22(21(15)27)29-30-23(16)28-24(32)18-4-2-12-35-18/h1-12,31H,(H2,28,29,30,32)
InChIKeyMCRWRYVSYCMVAE-UHFFFAOYSA-N
XLogP6.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.45
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91530525
N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91199595
N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91808065
2,3-dichloro-N-[6-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide
CID 71538390
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
2,3-dichloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349100
2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide
CID 75508948
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 156585238

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide (CID 90732905) is N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1n[nH]c2c(F)c(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12)c1cccs1.
What is the InChIKey of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is MCRWRYVSYCMVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2FN4O3S2/c25-17-3-1-5-19(20(17)26)36(33,34)31-14-8-6-13(7-9-14)15-10-11-16-22(21(15)27)29-30-23(16)28-24(32)18-4-2-12-35-18/h1-12,31H,(H2,28,29,30,32).
What are the key properties of N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide?
N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 561.45 g/mol, XLogP of 6.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90732905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).