N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide

C23H27ClN2O5S2 — CID 90594923

IUPACN-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2(C(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)CCCCC2)c1
InChIInChI=1S/C23H27ClN2O5S2/c1-17-6-5-7-20(14-17)33(30,31)25-23(12-3-2-4-13-23)22(27)26-15-21(16-26)32(28,29)19-10-8-18(24)9-11-19/h5-11,14,21,25H,2-4,12-13,15-16H2,1H3
InChIKeyCQNVKKLVABLJQK-UHFFFAOYSA-N
MW511.07 g/mol
LogP3.31
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide

N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide (PubChem CID 90594923) has the molecular formula C23H27ClN2O5S2 and a molecular weight of 511.07 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
PubChem CID90594923
Molecular FormulaC23H27ClN2O5S2
Molecular Weight511.07 g/mol
Exact Mass510.10
IUPAC NameN-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2(C(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)CCCCC2)c1
InChIInChI=1S/C23H27ClN2O5S2/c1-17-6-5-7-20(14-17)33(30,31)25-23(12-3-2-4-13-23)22(27)26-15-21(16-26)32(28,29)19-10-8-18(24)9-11-19/h5-11,14,21,25H,2-4,12-13,15-16H2,1H3
InChIKeyCQNVKKLVABLJQK-UHFFFAOYSA-N
XLogP3.31
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.07
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide 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

3-methyl-N-[1-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]cyclohexyl]benzenesulfonamide
CID 90627511
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982
N-[1-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)cyclohexyl]-3-methylbenzenesulfonamide
CID 122255300
N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 10387732
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 2097919
N-[2-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90586620
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 90595353
1-[(3-methylphenyl)sulfonylamino]-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 90597267
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
methyl 4-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]benzoate
CID 71809474

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide (CID 90594923) is N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2(C(=O)N3CC(S(=O)(=O)c4ccc(Cl)cc4)C3)CCCCC2)c1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide?
The InChIKey is CQNVKKLVABLJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O5S2/c1-17-6-5-7-20(14-17)33(30,31)25-23(12-3-2-4-13-23)22(27)26-15-21(16-26)32(28,29)19-10-8-18(24)9-11-19/h5-11,14,21,25H,2-4,12-13,15-16H2,1H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide?
N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide has a molecular weight of 511.07 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]cyclohexyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 90594923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).