4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide

C17H19ClN2O3S — CID 46529057

IUPAC4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)20-24(22,23)16-10-4-13(5-11-16)17(21)19-15-8-6-14(18)7-9-15/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyTVJBXIPUHHDVTC-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.67
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide (PubChem CID 46529057) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
PubChem CID46529057
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)20-24(22,23)16-10-4-13(5-11-16)17(21)19-15-8-6-14(18)7-9-15/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyTVJBXIPUHHDVTC-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

4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
CID 9260879
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-hexoxybenzamide
CID 17160198

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide (CID 46529057) is 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide?
The InChIKey is TVJBXIPUHHDVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-12(2)20-24(22,23)16-10-4-13(5-11-16)17(21)19-15-8-6-14(18)7-9-15/h4-12,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)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 4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 46529057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).