N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide

C18H19ClN2O3S — CID 9243824

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-12-5-8-16(20-18(22)13-3-2-4-13)11-17(12)25(23,24)21-15-9-6-14(19)7-10-15/h5-11,13,21H,2-4H2,1H3,(H,20,22)
InChIKeyKRDVVLXCIBQBGV-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.19
Rot. Bonds5

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide (PubChem CID 9243824) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
PubChem CID9243824
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-12-5-8-16(20-18(22)13-3-2-4-13)11-17(12)25(23,24)21-15-9-6-14(19)7-10-15/h5-11,13,21H,2-4H2,1H3,(H,20,22)
InChIKeyKRDVVLXCIBQBGV-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
CID 38892389
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
CID 17403113
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 25335431
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 46489197
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide (CID 9243824) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide is Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
The InChIKey is KRDVVLXCIBQBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-12-5-8-16(20-18(22)13-3-2-4-13)11-17(12)25(23,24)21-15-9-6-14(19)7-10-15/h5-11,13,21H,2-4H2,1H3,(H,20,22).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide has a molecular weight of 378.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 9243824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).