4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide

C17H22N2O4S2 — CID 17388091

IUPAC4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-4-13(2)14-5-9-17(10-6-14)25(22,23)19-15-7-11-16(12-8-15)24(20,21)18-3/h5-13,18-19H,4H2,1-3H3
InChIKeyLIVBLANDAOXWDA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.91
Rot. Bonds7

About 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide

4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 17388091) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID17388091
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C17H22N2O4S2/c1-4-13(2)14-5-9-17(10-6-14)25(22,23)19-15-7-11-16(12-8-15)24(20,21)18-3/h5-13,18-19H,4H2,1-3H3
InChIKeyLIVBLANDAOXWDA-UHFFFAOYSA-N
XLogP2.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
5-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519720
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide (CID 17388091) is 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is LIVBLANDAOXWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-4-13(2)14-5-9-17(10-6-14)25(22,23)19-15-7-11-16(12-8-15)24(20,21)18-3/h5-13,18-19H,4H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide?
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 17388091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).