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

C7H6ClN5O2S2 — CID 114911735

IUPAC4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nnns2)c(Cl)c1
InChIInChI=1S/C7H6ClN5O2S2/c8-5-3-4(9)1-2-6(5)17(14,15)11-7-10-12-13-16-7/h1-3H,9H2,(H,10,11,13)
InChIKeyDNLOMSYJJOCUEF-UHFFFAOYSA-N
MW291.75 g/mol
LogP0.97
Rot. Bonds3

About 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide

4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114911735) has the molecular formula C7H6ClN5O2S2 and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114911735
Molecular FormulaC7H6ClN5O2S2
Molecular Weight291.75 g/mol
Exact Mass290.97
IUPAC Name4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nnns2)c(Cl)c1
InChIInChI=1S/C7H6ClN5O2S2/c8-5-3-4(9)1-2-6(5)17(14,15)11-7-10-12-13-16-7/h1-3H,9H2,(H,10,11,13)
InChIKeyDNLOMSYJJOCUEF-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-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911751
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
methyl 4-amino-2-(thiatriazol-5-ylsulfamoyl)benzoate
CID 102931797
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
4-amino-2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10761363
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114911735) is 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2nnns2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is DNLOMSYJJOCUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5O2S2/c8-5-3-4(9)1-2-6(5)17(14,15)11-7-10-12-13-16-7/h1-3H,9H2,(H,10,11,13).
What are the key properties of 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide?
4-amino-2-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 4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114911735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).