5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide

C25H24ClN3O4S3 — CID 22641539

IUPAC5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C25H24ClN3O4S3/c26-17-6-11-21-22(14-15-27-23(21)16-17)28-18-7-9-19(10-8-18)29-36(32,33)25-13-12-24(34-25)35(30,31)20-4-2-1-3-5-20/h1-6,11-16,18-19,29H,7-10H2,(H,27,28)
InChIKeyOUJOZSVVXDTQLU-UHFFFAOYSA-N
MW562.14 g/mol
LogP5.48
Rot. Bonds7

About 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide

5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide (PubChem CID 22641539) has the molecular formula C25H24ClN3O4S3 and a molecular weight of 562.14 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide
PubChem CID22641539
Molecular FormulaC25H24ClN3O4S3
Molecular Weight562.14 g/mol
Exact Mass561.06
IUPAC Name5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C25H24ClN3O4S3/c26-17-6-11-21-22(14-15-27-23(21)16-17)28-18-7-9-19(10-8-18)29-36(32,33)25-13-12-24(34-25)35(30,31)20-4-2-1-3-5-20/h1-6,11-16,18-19,29H,7-10H2,(H,27,28)
InChIKeyOUJOZSVVXDTQLU-UHFFFAOYSA-N
XLogP5.48
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.14
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1-(3,5-dichlorophenyl)methanesulfonamide
CID 22641656
1-N-(7-chloroquinolin-4-yl)-4-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 10151529
4-N-(7-chloroquinolin-4-yl)-1-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 69198675
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
2-chloro-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]pyridine-4-carboxamide
CID 22641834
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3,4-dimethylbenzamide
CID 10287647
N-(azepan-4-yl)-7-chloroquinolin-4-amine
CID 107173682
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 10045727
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]quinoxaline-2-carboxamide
CID 22641879
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-3-fluoro-5-[(E)-2-phenylethenyl]benzamide
CID 22641736
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide (CID 22641539) is 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide is O=S(=O)(NC1CCC(Nc2ccnc3cc(Cl)ccc23)CC1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide?
The InChIKey is OUJOZSVVXDTQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S3/c26-17-6-11-21-22(14-15-27-23(21)16-17)28-18-7-9-19(10-8-18)29-36(32,33)25-13-12-24(34-25)35(30,31)20-4-2-1-3-5-20/h1-6,11-16,18-19,29H,7-10H2,(H,27,28).
What are the key properties of 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide?
5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide has a molecular weight of 562.14 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22641539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).