N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide

C16H21ClN2O3S — CID 71809355

IUPACN-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H21ClN2O3S/c17-12-5-4-6-13(9-12)18-16(20)19-10-15(11-19)23(21,22)14-7-2-1-3-8-14/h4-6,9,14-15H,1-3,7-8,10-11H2,(H,18,20)
InChIKeyVIHAJULPVYIHGQ-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.30
Rot. Bonds3

About N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide

N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide (PubChem CID 71809355) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
PubChem CID71809355
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC NameN-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H21ClN2O3S/c17-12-5-4-6-13(9-12)18-16(20)19-10-15(11-19)23(21,22)14-7-2-1-3-8-14/h4-6,9,14-15H,1-3,7-8,10-11H2,(H,18,20)
InChIKeyVIHAJULPVYIHGQ-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
3-cyclohexylsulfonyl-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 71809353
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide (CID 71809355) is N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide?
The InChIKey is VIHAJULPVYIHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-12-5-4-6-13(9-12)18-16(20)19-10-15(11-19)23(21,22)14-7-2-1-3-8-14/h4-6,9,14-15H,1-3,7-8,10-11H2,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide?
N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-cyclohexylsulfonylazetidine-1-carboxamide is sourced from PubChem (CID 71809355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).