4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide

C11H12BrN5O3S — CID 106467555

IUPAC4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2c(Br)nnn2C)cc1
InChIInChI=1S/C11H12BrN5O3S/c1-13-10(18)7-3-5-8(6-4-7)15-21(19,20)11-9(12)14-16-17(11)2/h3-6,15H,1-2H3,(H,13,18)
InChIKeyWVFHPDBDPTVGAK-UHFFFAOYSA-N
MW374.22 g/mol
LogP0.74
Rot. Bonds4

About 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide

4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide (PubChem CID 106467555) has the molecular formula C11H12BrN5O3S and a molecular weight of 374.22 g/mol. Its IUPAC name is 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide
PubChem CID106467555
Molecular FormulaC11H12BrN5O3S
Molecular Weight374.22 g/mol
Exact Mass372.98
IUPAC Name4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2c(Br)nnn2C)cc1
InChIInChI=1S/C11H12BrN5O3S/c1-13-10(18)7-3-5-8(6-4-7)15-21(19,20)11-9(12)14-16-17(11)2/h3-6,15H,1-2H3,(H,13,18)
InChIKeyWVFHPDBDPTVGAK-UHFFFAOYSA-N
XLogP0.74
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
CID 103354457
5-bromo-N-(3-fluoro-4-hydroxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106466759
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
CID 103354389
5-bromo-3-methyl-N-quinoxalin-6-yltriazole-4-sulfonamide
CID 103354478
4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-3-hydroxybenzoic acid
CID 106465733
N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
4-bromo-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]benzoic acid
CID 106465739
3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 106466568
5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466748
2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-2-phenylacetic acid
CID 106465632
5-bromo-3-methyl-N-(2,4,6-trifluorophenyl)triazole-4-sulfonamide
CID 106468063
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106467435

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide (CID 106467555) is 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccc(NS(=O)(=O)c2c(Br)nnn2C)cc1.
What is the InChIKey of 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide?
The InChIKey is WVFHPDBDPTVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O3S/c1-13-10(18)7-3-5-8(6-4-7)15-21(19,20)11-9(12)14-16-17(11)2/h3-6,15H,1-2H3,(H,13,18).
What are the key properties of 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide?
4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide has a molecular weight of 374.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 106467555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).