4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide

C16H17Cl2NO2S — CID 22773538

IUPAC4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO2S/c1-3-11(2)12-4-6-16(7-5-12)22(20,21)19-15-9-13(17)8-14(18)10-15/h4-11,19H,3H2,1-2H3
InChIKeyVDKRWWYPMFLPIM-UHFFFAOYSA-N
MW358.29 g/mol
LogP5.31
Rot. Bonds5

About 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide

4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide (PubChem CID 22773538) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
PubChem CID22773538
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2NO2S/c1-3-11(2)12-4-6-16(7-5-12)22(20,21)19-15-9-13(17)8-14(18)10-15/h4-11,19H,3H2,1-2H3
InChIKeyVDKRWWYPMFLPIM-UHFFFAOYSA-N
XLogP5.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide (CID 22773538) is 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is VDKRWWYPMFLPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-3-11(2)12-4-6-16(7-5-12)22(20,21)19-15-9-13(17)8-14(18)10-15/h4-11,19H,3H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide?
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 22773538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).