2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide

C12H18N2O4S3 — CID 103064611

IUPAC2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C12H18N2O4S3/c1-13-11-4-3-10(20(2,15)16)7-12(11)21(17,18)14-9-5-6-19-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3
InChIKeySTALDAGBUPIUSW-UHFFFAOYSA-N
MW350.49 g/mol
LogP0.92
Rot. Bonds5

About 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide

2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 103064611) has the molecular formula C12H18N2O4S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID103064611
Molecular FormulaC12H18N2O4S3
Molecular Weight350.49 g/mol
Exact Mass350.04
IUPAC Name2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C12H18N2O4S3/c1-13-11-4-3-10(20(2,15)16)7-12(11)21(17,18)14-9-5-6-19-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3
InChIKeySTALDAGBUPIUSW-UHFFFAOYSA-N
XLogP0.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064624
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
N-(2-chloro-5-methylsulfonylphenyl)thian-4-amine
CID 43682189
3-(ethylamino)-2-nitro-N-(thiolan-3-yl)benzenesulfonamide
CID 103064603
N-methyl-2-(3-methylpyrrolidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62147258
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide
CID 62162294
4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086442
methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
CID 103836299

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide (CID 103064611) is 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide is CNc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is STALDAGBUPIUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S3/c1-13-11-4-3-10(20(2,15)16)7-12(11)21(17,18)14-9-5-6-19-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3.
What are the key properties of 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 350.49 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103064611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).