3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide

C10H9ClN2O2S2 — CID 66350781

IUPAC3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccsc2)ccc1Cl
InChIInChI=1S/C10H9ClN2O2S2/c11-9-2-1-8(5-10(9)12)17(14,15)13-7-3-4-16-6-7/h1-6,13H,12H2
InChIKeySPAGGKMZRWGKAJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.78
Rot. Bonds3

About 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide

3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66350781) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66350781
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccsc2)ccc1Cl
InChIInChI=1S/C10H9ClN2O2S2/c11-9-2-1-8(5-10(9)12)17(14,15)13-7-3-4-16-6-7/h1-6,13H,12H2
InChIKeySPAGGKMZRWGKAJ-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.78
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

3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-4-chloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 61111579
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-(aminomethyl)-2,4-dichloro-N-thiophen-3-ylbenzenesulfonamide
CID 106069936
3-(aminomethyl)-4-chloro-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 106070126
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide (CID 66350781) is 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccsc2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is SPAGGKMZRWGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-9-2-1-8(5-10(9)12)17(14,15)13-7-3-4-16-6-7/h1-6,13H,12H2.
What are the key properties of 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide?
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66350781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).