2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide

C19H26N2O2S — CID 68534940

IUPAC2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(-c2c(C(C)C)cc(N)cc2C(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-11(2)15-9-14(20)10-16(12(3)4)19(15)17-8-13(5)6-7-18(17)24(21,22)23/h6-12H,20H2,1-5H3,(H2,21,22,23)
InChIKeyKPKNUCUGRFLJKK-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.14
Rot. Bonds4

About 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide

2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 68534940) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID68534940
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(-c2c(C(C)C)cc(N)cc2C(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-11(2)15-9-14(20)10-16(12(3)4)19(15)17-8-13(5)6-7-18(17)24(21,22)23/h6-12H,20H2,1-5H3,(H2,21,22,23)
InChIKeyKPKNUCUGRFLJKK-UHFFFAOYSA-N
XLogP4.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-amino-2,6-di(propan-2-yl)phenyl]-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

4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene
CID 54063332
4-(4-methylphenyl)-2-propan-2-yl-5-sulfamoylbenzoic acid
CID 140967689
4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide
CID 175668189
4-methyl-2-(1,3-thiazol-2-yl)benzenesulfonamide
CID 151398732
2,4-bis[(2,4-dimethylphenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696732
bis(4-phenyl-3,5-di(propan-2-yl)aniline);hydrate
CID 174678037
4-(2,4-dimethylphenyl)-3,5-di(propan-2-yl)phenol
CID 70463233
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
bis(4-amino-2,6-di(propan-2-yl)phenol);sulfuric acid
CID 45074858
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
5-amino-3-(2,5-dimethylanilino)-2-methylbenzenesulfonamide
CID 79899513

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 68534940) is 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(-c2c(C(C)C)cc(N)cc2C(C)C)c1.
What is the InChIKey of 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KPKNUCUGRFLJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-11(2)15-9-14(20)10-16(12(3)4)19(15)17-8-13(5)6-7-18(17)24(21,22)23/h6-12H,20H2,1-5H3,(H2,21,22,23).
What are the key properties of 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide?
2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 68534940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).