4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide

C22H31NO2S — CID 19683986

IUPAC4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H31NO2S/c1-7-17(6)18-11-13-19(14-12-18)26(24,25)23-22-20(15(2)3)9-8-10-21(22)16(4)5/h8-17,23H,7H2,1-6H3
InChIKeyPWGCEBAKLMSUCD-UHFFFAOYSA-N
MW373.56 g/mol
LogP6.25
Rot. Bonds7

About 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide

4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide (PubChem CID 19683986) has the molecular formula C22H31NO2S and a molecular weight of 373.56 g/mol. Its IUPAC name is 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
PubChem CID19683986
Molecular FormulaC22H31NO2S
Molecular Weight373.56 g/mol
Exact Mass373.21
IUPAC Name4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C22H31NO2S/c1-7-17(6)18-11-13-19(14-12-18)26(24,25)23-22-20(15(2)3)9-8-10-21(22)16(4)5/h8-17,23H,7H2,1-6H3
InChIKeyPWGCEBAKLMSUCD-UHFFFAOYSA-N
XLogP6.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696937
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-[(2R)-butan-2-yl]benzenesulfonate
CID 140600971

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide (CID 19683986) is 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is PWGCEBAKLMSUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2S/c1-7-17(6)18-11-13-19(14-12-18)26(24,25)23-22-20(15(2)3)9-8-10-21(22)16(4)5/h8-17,23H,7H2,1-6H3.
What are the key properties of 4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide?
4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 373.56 g/mol, XLogP of 6.25, 7 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-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 19683986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).