N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide

C18H19ClN2O4S — CID 17403113

IUPACN-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-15-8-5-13(6-9-15)21-26(23,24)17-11-14(7-10-16(17)19)20-18(22)12-3-2-4-12/h5-12,21H,2-4H2,1H3,(H,20,22)
InChIKeyAPMMJWRJUWDSTA-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.89
Rot. Bonds6

About N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide

N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide (PubChem CID 17403113) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
PubChem CID17403113
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-25-15-8-5-13(6-9-15)21-26(23,24)17-11-14(7-10-16(17)19)20-18(22)12-3-2-4-12/h5-12,21H,2-4H2,1H3,(H,20,22)
InChIKeyAPMMJWRJUWDSTA-UHFFFAOYSA-N
XLogP3.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 3995207
1-(2,5-dichlorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 27228877
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4851871
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide (CID 17403113) is N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2Cl)cc1.
What is the InChIKey of N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide?
The InChIKey is APMMJWRJUWDSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-15-8-5-13(6-9-15)21-26(23,24)17-11-14(7-10-16(17)19)20-18(22)12-3-2-4-12/h5-12,21H,2-4H2,1H3,(H,20,22).
What are the key properties of N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide?
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide has a molecular weight of 394.88 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 17403113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).