N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide

C19H25NO2S — CID 175588767

IUPACN-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide
SMILESCCc1cc(C)ccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO2S/c1-6-15-13-14(2)7-12-18(15)23(21,22)20-17-10-8-16(9-11-17)19(3,4)5/h7-13,20H,6H2,1-5H3
InChIKeyWESVJPSTCOIQFH-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.66
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide

N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide (PubChem CID 175588767) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide
PubChem CID175588767
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide
SMILESCCc1cc(C)ccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H25NO2S/c1-6-15-13-14(2)7-12-18(15)23(21,22)20-17-10-8-16(9-11-17)19(3,4)5/h7-13,20H,6H2,1-5H3
InChIKeyWESVJPSTCOIQFH-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide 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

N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 60531678
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide (CID 175588767) is N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide is CCc1cc(C)ccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide?
The InChIKey is WESVJPSTCOIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-6-15-13-14(2)7-12-18(15)23(21,22)20-17-10-8-16(9-11-17)19(3,4)5/h7-13,20H,6H2,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide?
N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 175588767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).