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

C17H19ClN2O3S — CID 2947064

IUPACN-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)19-17(21)15-6-4-5-7-16(15)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyGIOIXJRDOKPOLC-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.67
Rot. Bonds6

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

N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 2947064) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID2947064
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)19-17(21)15-6-4-5-7-16(15)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyGIOIXJRDOKPOLC-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
N-butan-2-yl-2-(3-chloropropylsulfonylamino)benzamide
CID 43653866

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 2947064) is N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide is CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is GIOIXJRDOKPOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-12(2)19-17(21)15-6-4-5-7-16(15)20-24(22,23)14-10-8-13(18)9-11-14/h4-12,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide?
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.67, 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-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2947064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).