4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide

C13H17N3O2S2 — CID 82899224

IUPAC4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCc2cccs2)c1
InChIInChI=1S/C13H17N3O2S2/c1-2-16-20(17,18)11-5-6-12(14)13(8-11)15-9-10-4-3-7-19-10/h3-8,15-16H,2,9,14H2,1H3
InChIKeyKVMJZUSPHHYRGP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide

4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide (PubChem CID 82899224) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
PubChem CID82899224
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCc2cccs2)c1
InChIInChI=1S/C13H17N3O2S2/c1-2-16-20(17,18)11-5-6-12(14)13(8-11)15-9-10-4-3-7-19-10/h3-8,15-16H,2,9,14H2,1H3
InChIKeyKVMJZUSPHHYRGP-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(3-bromothiophen-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 82902613
4-amino-N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106379435
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
4-amino-3-[(5-ethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106007379
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide (CID 82899224) is 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NCc2cccs2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide?
The InChIKey is KVMJZUSPHHYRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-2-16-20(17,18)11-5-6-12(14)13(8-11)15-9-10-4-3-7-19-10/h3-8,15-16H,2,9,14H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide?
4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82899224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).