N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide

C19H23ClN2O3S — CID 109061303

IUPACN-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)10-11-21-26(24,25)17-7-4-15(5-8-17)19(23)22-18-9-6-16(20)12-14(18)3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyGQXDCRQTJKXTCW-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.23
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide

N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109061303) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109061303
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)10-11-21-26(24,25)17-7-4-15(5-8-17)19(23)22-18-9-6-16(20)12-14(18)3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23)
InChIKeyGQXDCRQTJKXTCW-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26665081
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide (CID 109061303) is N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is GQXDCRQTJKXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)10-11-21-26(24,25)17-7-4-15(5-8-17)19(23)22-18-9-6-16(20)12-14(18)3/h4-9,12-13,21H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide?
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109061303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).