4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide

C18H21ClN2O3S — CID 94621798

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-18(2,3)20-17(22)13-5-9-15(10-6-13)21-25(23,24)16-11-7-14(19)8-12-16/h5-12,21H,4H2,1-3H3,(H,20,22)
InChIKeyBMAFVAKXALDLKD-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.06
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide

4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 94621798) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID94621798
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-4-18(2,3)20-17(22)13-5-9-15(10-6-13)21-25(23,24)16-11-7-14(19)8-12-16/h5-12,21H,4H2,1-3H3,(H,20,22)
InChIKeyBMAFVAKXALDLKD-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189146
4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55990856
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
tert-butyl-[3-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]propyl]azanium
CID 9089870
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide (CID 94621798) is 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is BMAFVAKXALDLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-4-18(2,3)20-17(22)13-5-9-15(10-6-13)21-25(23,24)16-11-7-14(19)8-12-16/h5-12,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 94621798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).