N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide

C14H17ClN2O3S — CID 90513373

IUPACN-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H17ClN2O3S/c15-12-3-1-10(2-4-12)7-16-14(18)11-8-17(9-11)21(19,20)13-5-6-13/h1-4,11,13H,5-9H2,(H,16,18)
InChIKeyNBHVRJQGIHFWOQ-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.38
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 90513373) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID90513373
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC NameN-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H17ClN2O3S/c15-12-3-1-10(2-4-12)7-16-14(18)11-8-17(9-11)21(19,20)13-5-6-13/h1-4,11,13H,5-9H2,(H,16,18)
InChIKeyNBHVRJQGIHFWOQ-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513201
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 22552816
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
N-[(4-chlorophenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285506
1-(4-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25402530
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide (CID 90513373) is N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is NBHVRJQGIHFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-12-3-1-10(2-4-12)7-16-14(18)11-8-17(9-11)21(19,20)13-5-6-13/h1-4,11,13H,5-9H2,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 328.82 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).