2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

C13H15ClN2O2S2 — CID 61474983

IUPAC2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H15ClN2O2S2/c1-9(6-10-4-5-19-8-10)16-20(17,18)13-7-11(14)2-3-12(13)15/h2-5,7-9,16H,6,15H2,1H3
InChIKeyROTUCQMXFMDPJI-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.89
Rot. Bonds5

About 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61474983) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID61474983
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H15ClN2O2S2/c1-9(6-10-4-5-19-8-10)16-20(17,18)13-7-11(14)2-3-12(13)15/h2-5,7-9,16H,6,15H2,1H3
InChIKeyROTUCQMXFMDPJI-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.89
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

5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
2-amino-5-chloro-N-pentan-2-ylbenzenesulfonamide
CID 54888470
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-amino-5-chloro-N-propan-2-ylbenzenesulfonamide
CID 60985820
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 81440427
5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61223337
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54954014
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (CID 61474983) is 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is ROTUCQMXFMDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9(6-10-4-5-19-8-10)16-20(17,18)13-7-11(14)2-3-12(13)15/h2-5,7-9,16H,6,15H2,1H3.
What are the key properties of 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61474983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).