N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide

C15H23NO3S — CID 39418051

IUPACN-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCc1ccc(C(=O)C(C)C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-10(2)14(17)12-8-7-11(3)13(9-12)20(18,19)16-15(4,5)6/h7-10,16H,1-6H3
InChIKeyISSFCHDQTSHGKG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.91
Rot. Bonds4

About N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide

N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 39418051) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
PubChem CID39418051
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
SMILESCc1ccc(C(=O)C(C)C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H23NO3S/c1-10(2)14(17)12-8-7-11(3)13(9-12)20(18,19)16-15(4,5)6/h7-10,16H,1-6H3
InChIKeyISSFCHDQTSHGKG-UHFFFAOYSA-N
XLogP2.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-methyl-5-(2-methylpropanoyl)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

N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide
CID 159113600
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
4-methyl-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43088942
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
[3-(tert-butylsulfamoyl)-4-methylphenyl]-(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123647380
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119798970
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64550339
3-(tert-butylsulfamoyl)-4-(2-methylpropylamino)benzoic acid
CID 99977977
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 78856600
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide (CID 39418051) is N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide is Cc1ccc(C(=O)C(C)C)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is ISSFCHDQTSHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10(2)14(17)12-8-7-11(3)13(9-12)20(18,19)16-15(4,5)6/h7-10,16H,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide?
N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 39418051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).