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

C18H19ClN2O4S — CID 90593590

IUPACN-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)NCc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-15-6-8-16(9-7-15)26(23,24)17-11-21(12-17)18(22)20-10-13-2-4-14(19)5-3-13/h2-9,17H,10-12H2,1H3,(H,20,22)
InChIKeyCWKZITJTWXGRQY-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.72
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide (PubChem CID 90593590) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
PubChem CID90593590
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)NCc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-15-6-8-16(9-7-15)26(23,24)17-11-21(12-17)18(22)20-10-13-2-4-14(19)5-3-13/h2-9,17H,10-12H2,1H3,(H,20,22)
InChIKeyCWKZITJTWXGRQY-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 90595136
N-(2-chloroethyl)-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595114
(E)-3-(4-chlorophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]prop-2-en-1-one
CID 90593471
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 15997698
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915
N-[2-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 90594984
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
3-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90593415
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide (CID 90593590) is N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide is COc1ccc(S(=O)(=O)C2CN(C(=O)NCc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide?
The InChIKey is CWKZITJTWXGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-15-6-8-16(9-7-15)26(23,24)17-11-21(12-17)18(22)20-10-13-2-4-14(19)5-3-13/h2-9,17H,10-12H2,1H3,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide is sourced from PubChem (CID 90593590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).