N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide

C11H17NO3S — CID 3692570

IUPACN-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3
InChIKeyLJSHGNALHZTWHB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.04
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide

N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 3692570) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
PubChem CID3692570
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3
InChIKeyLJSHGNALHZTWHB-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide (CID 3692570) is N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide is CCC(CO)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is LJSHGNALHZTWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3692570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).