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

C13H15ClN2O2S2 — CID 63291710

IUPAC5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-8-10(15)4-5-12(13)14/h2-6,8-9,16H,7,15H2,1H3
InChIKeyYYAMPXOMMMKVRM-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.89
Rot. Bonds5

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

5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 63291710) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID63291710
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-8-10(15)4-5-12(13)14/h2-6,8-9,16H,7,15H2,1H3
InChIKeyYYAMPXOMMMKVRM-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

4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 106004402
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
3-chloro-4-cyano-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 115582135
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 63291710) is 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is YYAMPXOMMMKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-8-10(15)4-5-12(13)14/h2-6,8-9,16H,7,15H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
5-amino-2-chloro-N-(1-thiophen-2-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 5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63291710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).