4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide

C16H20N2O4S2 — CID 2524649

IUPAC4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-3-12(2)13-4-8-16(9-5-13)24(21,22)18-14-6-10-15(11-7-14)23(17,19)20/h4-12,18H,3H2,1-2H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyOONUVBMIHHDTGU-LBPRGKRZSA-N
MW368.48 g/mol
LogP2.65
Rot. Bonds6

About 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide

4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 2524649) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID2524649
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-3-12(2)13-4-8-16(9-5-13)24(21,22)18-14-6-10-15(11-7-14)23(17,19)20/h4-12,18H,3H2,1-2H3,(H2,17,19,20)/t12-/m0/s1
InChIKeyOONUVBMIHHDTGU-LBPRGKRZSA-N
XLogP2.65
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.65
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-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
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
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]-2-methoxyacetamide
CID 55573376

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 2524649) is 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide is CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is OONUVBMIHHDTGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-3-12(2)13-4-8-16(9-5-13)24(21,22)18-14-6-10-15(11-7-14)23(17,19)20/h4-12,18H,3H2,1-2H3,(H2,17,19,20)/t12-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide?
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 2524649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).