2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide

C7H6ClN5O2S2 — CID 114911766

IUPAC2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C7H6ClN5O2S2/c8-4-1-2-5(9)6(3-4)17(14,15)11-7-10-12-13-16-7/h1-3H,9H2,(H,10,11,13)
InChIKeyBSAMEGYXUVEYHP-UHFFFAOYSA-N
MW291.75 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide

2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114911766) has the molecular formula C7H6ClN5O2S2 and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114911766
Molecular FormulaC7H6ClN5O2S2
Molecular Weight291.75 g/mol
Exact Mass290.97
IUPAC Name2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C7H6ClN5O2S2/c8-4-1-2-5(9)6(3-4)17(14,15)11-7-10-12-13-16-7/h1-3H,9H2,(H,10,11,13)
InChIKeyBSAMEGYXUVEYHP-UHFFFAOYSA-N
XLogP0.97
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911751
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107571310
methyl 4-amino-2-(thiatriazol-5-ylsulfamoyl)benzoate
CID 102931797
3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 107326285
2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911673
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
2-amino-N-(4-bromo-2,6-difluorophenyl)-5-chlorobenzenesulfonamide
CID 65469250
2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 60986317

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114911766) is 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)Nc1nnns1.
What is the InChIKey of 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is BSAMEGYXUVEYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5O2S2/c8-4-1-2-5(9)6(3-4)17(14,15)11-7-10-12-13-16-7/h1-3H,9H2,(H,10,11,13).
What are the key properties of 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 291.75 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114911766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).