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

C11H16N2O4S3 — CID 103064624

IUPAC2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(N)c(S(=O)(=O)NC2CCSC2)c1
InChIInChI=1S/C11H16N2O4S3/c1-19(14,15)9-2-3-10(12)11(6-9)20(16,17)13-8-4-5-18-7-8/h2-3,6,8,13H,4-5,7,12H2,1H3
InChIKeyLEZFSNJPOOYUJA-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.46
Rot. Bonds4

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

2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 103064624) has the molecular formula C11H16N2O4S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID103064624
Molecular FormulaC11H16N2O4S3
Molecular Weight336.46 g/mol
Exact Mass336.03
IUPAC Name2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(N)c(S(=O)(=O)NC2CCSC2)c1
InChIInChI=1S/C11H16N2O4S3/c1-19(14,15)9-2-3-10(12)11(6-9)20(16,17)13-8-4-5-18-7-8/h2-3,6,8,13H,4-5,7,12H2,1H3
InChIKeyLEZFSNJPOOYUJA-UHFFFAOYSA-N
XLogP0.46
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064611
2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
CID 62145782
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 107407116
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
2-amino-N-cyclopropyl-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 62143938

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide (CID 103064624) is 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(N)c(S(=O)(=O)NC2CCSC2)c1.
What is the InChIKey of 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is LEZFSNJPOOYUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S3/c1-19(14,15)9-2-3-10(12)11(6-9)20(16,17)13-8-4-5-18-7-8/h2-3,6,8,13H,4-5,7,12H2,1H3.
What are the key properties of 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide?
2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103064624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).