3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide

C7H5Cl2N5O2S2 — CID 114911751

IUPAC3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)Nc2nnns2)c1Cl
InChIInChI=1S/C7H5Cl2N5O2S2/c8-3-1-2-4(5(9)6(3)10)18(15,16)12-7-11-13-14-17-7/h1-2H,10H2,(H,11,12,14)
InChIKeyFDANFPIQBIQRET-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.62
Rot. Bonds3

About 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide

3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114911751) has the molecular formula C7H5Cl2N5O2S2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114911751
Molecular FormulaC7H5Cl2N5O2S2
Molecular Weight326.19 g/mol
Exact Mass324.93
IUPAC Name3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1c(Cl)ccc(S(=O)(=O)Nc2nnns2)c1Cl
InChIInChI=1S/C7H5Cl2N5O2S2/c8-3-1-2-4(5(9)6(3)10)18(15,16)12-7-11-13-14-17-7/h1-2H,10H2,(H,11,12,14)
InChIKeyFDANFPIQBIQRET-UHFFFAOYSA-N
XLogP1.62
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.62
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
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
methyl 4-amino-2-(thiatriazol-5-ylsulfamoyl)benzoate
CID 102931797
4-hydrazinyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912916
3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 107326285
3-amino-2,4-dichloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803406
5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide
CID 114912153
3-methoxy-4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 102695581
5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914138

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114911751) is 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide is Nc1c(Cl)ccc(S(=O)(=O)Nc2nnns2)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is FDANFPIQBIQRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5O2S2/c8-3-1-2-4(5(9)6(3)10)18(15,16)12-7-11-13-14-17-7/h1-2H,10H2,(H,11,12,14).
What are the key properties of 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide?
3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 326.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114911751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).