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

C13H15ClN2O2S2 — CID 63291622

IUPAC4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(15)8-12(13)14/h2-6,8-9,16H,7,15H2,1H3
InChIKeyJWCDSUDGCLWFDI-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.89
Rot. Bonds5

About 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 63291622) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID63291622
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(15)8-12(13)14/h2-6,8-9,16H,7,15H2,1H3
InChIKeyJWCDSUDGCLWFDI-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-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
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
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 106004402
3-chloro-4-cyano-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 115582135
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 63291622) is 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is JWCDSUDGCLWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9(7-11-3-2-6-19-11)16-20(17,18)13-5-4-10(15)8-12(13)14/h2-6,8-9,16H,7,15H2,1H3.
What are the key properties of 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
4-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 4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63291622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).