N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O4S3 — CID 52685774

IUPACN-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCS(=O)(=O)CCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O4S3/c1-20(15,16)10-8-14(12-13-7-9-19-12)21(17,18)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKeyPBXJLUTYTDHFFJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.38
Rot. Bonds6

About N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 52685774) has the molecular formula C12H14N2O4S3 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID52685774
Molecular FormulaC12H14N2O4S3
Molecular Weight346.45 g/mol
Exact Mass346.01
IUPAC NameN-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCS(=O)(=O)CCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O4S3/c1-20(15,16)10-8-14(12-13-7-9-19-12)21(17,18)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKeyPBXJLUTYTDHFFJ-UHFFFAOYSA-N
XLogP1.38
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 52685774) is N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CS(=O)(=O)CCN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PBXJLUTYTDHFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S3/c1-20(15,16)10-8-14(12-13-7-9-19-12)21(17,18)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3.
What are the key properties of N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 52685774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).