N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide

C13H21NO3S — CID 64913123

IUPACN-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-10(2)12-4-6-13(7-5-12)18(16,17)14-9-8-11(3)15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyUEWFMHRVCBXSCX-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.86
Rot. Bonds6

About N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide

N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 64913123) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID64913123
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-10(2)12-4-6-13(7-5-12)18(16,17)14-9-8-11(3)15/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyUEWFMHRVCBXSCX-UHFFFAOYSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912060
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 103834739
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide (CID 64913123) is N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide is CC(O)CCNS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is UEWFMHRVCBXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)12-4-6-13(7-5-12)18(16,17)14-9-8-11(3)15/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide?
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 64913123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).