2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide

C19H23ClN2O3S — CID 43877134

IUPAC2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)11-18(14-7-5-4-6-8-14)21-19(23)16-10-9-15(12-17(16)20)22-26(3,24)25/h4-10,12-13,18,22H,11H2,1-3H3,(H,21,23)
InChIKeyLQLFGYZVCWQBGB-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.23
Rot. Bonds7

About 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide

2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 43877134) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID43877134
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)11-18(14-7-5-4-6-8-14)21-19(23)16-10-9-15(12-17(16)20)22-26(3,24)25/h4-10,12-13,18,22H,11H2,1-3H3,(H,21,23)
InChIKeyLQLFGYZVCWQBGB-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

2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
2-chloro-N-(3-methyl-1-phenylbutyl)-4-nitrobenzamide
CID 43022165
2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide (CID 43877134) is 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide is CC(C)CC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is LQLFGYZVCWQBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)11-18(14-7-5-4-6-8-14)21-19(23)16-10-9-15(12-17(16)20)22-26(3,24)25/h4-10,12-13,18,22H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide?
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)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 2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 43877134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).