4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C8H6BrClN4O2S — CID 55153923

IUPAC4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H6BrClN4O2S/c9-5-1-2-7(6(10)3-5)17(15,16)14-8-11-4-12-13-8/h1-4H,(H2,11,12,13,14)
InChIKeyFUZGCDIWRLTCJM-UHFFFAOYSA-N
MW337.59 g/mol
LogP2.02
Rot. Bonds3

About 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 55153923) has the molecular formula C8H6BrClN4O2S and a molecular weight of 337.59 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID55153923
Molecular FormulaC8H6BrClN4O2S
Molecular Weight337.59 g/mol
Exact Mass335.91
IUPAC Name4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)c1ccc(Br)cc1Cl
InChIInChI=1S/C8H6BrClN4O2S/c9-5-1-2-7(6(10)3-5)17(15,16)14-8-11-4-12-13-8/h1-4H,(H2,11,12,13,14)
InChIKeyFUZGCDIWRLTCJM-UHFFFAOYSA-N
XLogP2.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 116527788
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 60982560
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
3-bromo-5-chloro-2-methoxy-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944139
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585
2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153733
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 66486115
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62945149

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 55153923) is 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncn[nH]1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is FUZGCDIWRLTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4O2S/c9-5-1-2-7(6(10)3-5)17(15,16)14-8-11-4-12-13-8/h1-4H,(H2,11,12,13,14).
What are the key properties of 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 337.59 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 55153923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).