N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

C19H23ClN2O3S — CID 5141734

IUPACN-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-5-14(4)21-19(23)15-8-9-16(20)18(11-15)26(24,25)22-17-10-12(2)6-7-13(17)3/h6-11,14,22H,5H2,1-4H3,(H,21,23)
InChIKeyMSORVFZYVOJWHY-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.29
Rot. Bonds6

About N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 5141734) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
PubChem CID5141734
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H23ClN2O3S/c1-5-14(4)21-19(23)15-8-9-16(20)18(11-15)26(24,25)22-17-10-12(2)6-7-13(17)3/h6-11,14,22H,5H2,1-4H3,(H,21,23)
InChIKeyMSORVFZYVOJWHY-UHFFFAOYSA-N
XLogP4.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-butan-2-yl-4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42909894
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43915395
N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 126415159

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (CID 5141734) is N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is MSORVFZYVOJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-14(4)21-19(23)15-8-9-16(20)18(11-15)26(24,25)22-17-10-12(2)6-7-13(17)3/h6-11,14,22H,5H2,1-4H3,(H,21,23).
What are the key properties of N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 394.92 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 5141734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).