N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide

C13H21NO3S — CID 39371133

IUPACN-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C13H21NO3S/c1-13(2,3)14-18(16,17)12-8-6-11(7-9-12)5-4-10-15/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyCEUUXTHFANCONK-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.69
Rot. Bonds5

About N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide

N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 39371133) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
PubChem CID39371133
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCCO)cc1
InChIInChI=1S/C13H21NO3S/c1-13(2,3)14-18(16,17)12-8-6-11(7-9-12)5-4-10-15/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyCEUUXTHFANCONK-UHFFFAOYSA-N
XLogP1.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-(3-hydroxypropyl)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-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39436087
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312
3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 126257708

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide (CID 39371133) is N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(CCCO)cc1.
What is the InChIKey of N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is CEUUXTHFANCONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-13(2,3)14-18(16,17)12-8-6-11(7-9-12)5-4-10-15/h6-9,14-15H,4-5,10H2,1-3H3.
What are the key properties of N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide?
N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 39371133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).