6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide

C9H10BrN5O3S — CID 166184919

IUPAC6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(Br)cc2n[nH]nc12
InChIInChI=1S/C9H10BrN5O3S/c10-5-3-6(8-7(4-5)13-15-14-8)9(16)12-1-2-19(11,17)18/h3-4H,1-2H2,(H,12,16)(H2,11,17,18)(H,13,14,15)
InChIKeyGNYAFKTYXGXMSQ-UHFFFAOYSA-N
MW348.18 g/mol
LogP-0.26
Rot. Bonds4

About 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide

6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide (PubChem CID 166184919) has the molecular formula C9H10BrN5O3S and a molecular weight of 348.18 g/mol. Its IUPAC name is 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide
PubChem CID166184919
Molecular FormulaC9H10BrN5O3S
Molecular Weight348.18 g/mol
Exact Mass346.97
IUPAC Name6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(Br)cc2n[nH]nc12
InChIInChI=1S/C9H10BrN5O3S/c10-5-3-6(8-7(4-5)13-15-14-8)9(16)12-1-2-19(11,17)18/h3-4H,1-2H2,(H,12,16)(H2,11,17,18)(H,13,14,15)
InChIKeyGNYAFKTYXGXMSQ-UHFFFAOYSA-N
XLogP-0.26
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[2-(1,2-oxazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 166355458
6-bromo-N-(2H-tetrazol-5-ylmethyl)-2H-benzotriazole-4-carboxamide
CID 166180087
5-bromo-2-(methylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 55047276
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
1-N'-[[4-[[(6-bromo-2H-benzotriazole-4-carbonyl)amino]methyl]-3-fluorophenyl]methyl]cyclopropane-1,1-dicarboxamide
CID 167975840
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
6-bromo-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]-2H-benzotriazole-4-carboxamide
CID 167842570
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
4-oxo-N-(2-sulfamoylethyl)-1H-pyridine-3-carboxamide
CID 103386588
4-hydrazinyl-N-(2-sulfamoylethyl)pyridine-3-carboxamide
CID 81256506
2,3-difluoro-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 105380386

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide?
The IUPAC name of 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide (CID 166184919) is 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide?
The canonical SMILES for 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide is NS(=O)(=O)CCNC(=O)c1cc(Br)cc2n[nH]nc12.
What is the InChIKey of 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide?
The InChIKey is GNYAFKTYXGXMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O3S/c10-5-3-6(8-7(4-5)13-15-14-8)9(16)12-1-2-19(11,17)18/h3-4H,1-2H2,(H,12,16)(H2,11,17,18)(H,13,14,15).
What are the key properties of 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide?
6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide has a molecular weight of 348.18 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-sulfamoylethyl)-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 166184919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).