N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide

C15H13BrN4O2S — CID 169371262

IUPACN-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cnc(Br)n3)cc2)cc1
InChIInChI=1S/C15H13BrN4O2S/c1-11-2-8-14(9-3-11)23(21,22)19-12-4-6-13(7-5-12)20-10-17-15(16)18-20/h2-10,19H,1H3
InChIKeyVRAGICKTFUHUEX-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.14
Rot. Bonds4

About N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371262) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371262
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC NameN-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cnc(Br)n3)cc2)cc1
InChIInChI=1S/C15H13BrN4O2S/c1-11-2-8-14(9-3-11)23(21,22)19-12-4-6-13(7-5-12)20-10-17-15(16)18-20/h2-10,19H,1H3
InChIKeyVRAGICKTFUHUEX-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
4-(5-amino-4-bromo-6-chlorobenzotriazol-2-yl)-N-(4-methylphenyl)benzenesulfonamide
CID 91679877
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide (CID 169371262) is N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnc(Br)n3)cc2)cc1.
What is the InChIKey of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VRAGICKTFUHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c1-11-2-8-14(9-3-11)23(21,22)19-12-4-6-13(7-5-12)20-10-17-15(16)18-20/h2-10,19H,1H3.
What are the key properties of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 393.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).