4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

C25H27ClN6O2S — CID 4910744

IUPAC4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H27ClN6O2S/c1-30-23-10-7-20(29-35(33,34)21-8-5-19(26)6-9-21)18-22(23)28-25(30)11-13-31-14-16-32(17-15-31)24-4-2-3-12-27-24/h2-10,12,18,29H,11,13-17H2,1H3
InChIKeyLOFXXYCHBQBDNW-UHFFFAOYSA-N
MW511.05 g/mol
LogP3.79
Rot. Bonds7

About 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (PubChem CID 4910744) has the molecular formula C25H27ClN6O2S and a molecular weight of 511.05 g/mol. Its IUPAC name is 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
PubChem CID4910744
Molecular FormulaC25H27ClN6O2S
Molecular Weight511.05 g/mol
Exact Mass510.16
IUPAC Name4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H27ClN6O2S/c1-30-23-10-7-20(29-35(33,34)21-8-5-19(26)6-9-21)18-22(23)28-25(30)11-13-31-14-16-32(17-15-31)24-4-2-3-12-27-24/h2-10,12,18,29H,11,13-17H2,1H3
InChIKeyLOFXXYCHBQBDNW-UHFFFAOYSA-N
XLogP3.79
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.05
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

DB-02197
CID 5288527
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzenesulfonamide
CID 71460978
2-Ethyl-1-(3-fluorophenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720397
N-[1-[8-(2-chlorophenyl)-9-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
CID 135156454
Sulfonamide deriv. 3f
CID 6539029
Imidazo[1,2-a]pyridine deriv. 4a
CID 6539030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (CID 4910744) is 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is LOFXXYCHBQBDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2S/c1-30-23-10-7-20(29-35(33,34)21-8-5-19(26)6-9-21)18-22(23)28-25(30)11-13-31-14-16-32(17-15-31)24-4-2-3-12-27-24/h2-10,12,18,29H,11,13-17H2,1H3.
What are the key properties of 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 511.05 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 4910744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).