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

C11H17NO3S — CID 3819693

IUPACN-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO3S/c1-9-4-6-11(7-5-9)16(13,14)12-10(2)8-15-3/h4-7,10,12H,8H2,1-3H3
InChIKeyUBOOEZVYNFUYSA-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.31
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 3819693) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
PubChem CID3819693
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H17NO3S/c1-9-4-6-11(7-5-9)16(13,14)12-10(2)8-15-3/h4-7,10,12H,8H2,1-3H3
InChIKeyUBOOEZVYNFUYSA-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide (CID 3819693) is N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is UBOOEZVYNFUYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-4-6-11(7-5-9)16(13,14)12-10(2)8-15-3/h4-7,10,12H,8H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide?
N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3819693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).