2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C12H17NO3S — CID 11839503

IUPAC2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C12H17NO3S/c1-10-5-2-3-7-12(10)17(14,15)13-9-11-6-4-8-16-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3
InChIKeyCWHDQNFPXGCUSM-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.45
Rot. Bonds4

About 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 11839503) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID11839503
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C12H17NO3S/c1-10-5-2-3-7-12(10)17(14,15)13-9-11-6-4-8-16-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3
InChIKeyCWHDQNFPXGCUSM-UHFFFAOYSA-N
XLogP1.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 11839503) is 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is CWHDQNFPXGCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10-5-2-3-7-12(10)17(14,15)13-9-11-6-4-8-16-11/h2-3,5,7,11,13H,4,6,8-9H2,1H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 11839503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).