3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide

C11H12N2O2S2 — CID 4713669

IUPAC3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C11H12N2O2S2/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8,12H2
InChIKeyTVWOJLWENZTVHF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 4713669) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID4713669
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C11H12N2O2S2/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8,12H2
InChIKeyTVWOJLWENZTVHF-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
4-amino-2-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143223
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 4713669) is 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is TVWOJLWENZTVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8,12H2.
What are the key properties of 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 268.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4713669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).