4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide

C23H23ClN2O3S — CID 1253800

IUPAC4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H23ClN2O3S/c1-15(2)19-11-7-8-16(3)22(19)25-23(27)17-12-13-20(24)21(14-17)30(28,29)26-18-9-5-4-6-10-18/h4-15,26H,1-3H3,(H,25,27)
InChIKeyFWRMXMSZQOZQPP-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.82
Rot. Bonds6

About 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide

4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 1253800) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide
PubChem CID1253800
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H23ClN2O3S/c1-15(2)19-11-7-8-16(3)22(19)25-23(27)17-12-13-20(24)21(14-17)30(28,29)26-18-9-5-4-6-10-18/h4-15,26H,1-3H3,(H,25,27)
InChIKeyFWRMXMSZQOZQPP-UHFFFAOYSA-N
XLogP5.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2347442
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide (CID 1253800) is 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is FWRMXMSZQOZQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-15(2)19-11-7-8-16(3)22(19)25-23(27)17-12-13-20(24)21(14-17)30(28,29)26-18-9-5-4-6-10-18/h4-15,26H,1-3H3,(H,25,27).
What are the key properties of 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide?
4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 442.97 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 1253800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).