6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide

C17H13N7O3S — CID 118257067

IUPAC6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide
SMILESNC(=O)c1nccc2cc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12
InChIInChI=1S/C17H13N7O3S/c18-16(25)15-12-5-4-9(8-10(12)6-7-20-15)11-2-1-3-13(28(19,26)27)14(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyBMTFZBSAMOYHLW-UHFFFAOYSA-N
MW395.40 g/mol
LogP0.83
Rot. Bonds4

About 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide

6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide (PubChem CID 118257067) has the molecular formula C17H13N7O3S and a molecular weight of 395.40 g/mol. Its IUPAC name is 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound Name6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide
PubChem CID118257067
Molecular FormulaC17H13N7O3S
Molecular Weight395.40 g/mol
Exact Mass395.08
IUPAC Name6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide
SMILESNC(=O)c1nccc2cc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12
InChIInChI=1S/C17H13N7O3S/c18-16(25)15-12-5-4-9(8-10(12)6-7-20-15)11-2-1-3-13(28(19,26)27)14(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyBMTFZBSAMOYHLW-UHFFFAOYSA-N
XLogP0.83
TPSA170.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)picolinamide
CID 134823653
3-(1-(aminomethyl)isoquinolin-6-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256859
6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)quinoline-2-carboxamide
CID 118257149
3-isoquinolin-7-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266315
3-(6-isoquinolyl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 118266542
5-[4-[3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-3-oxopropyl]phenyl]-N-methylpyridine-2-carboxamide
CID 155515819
3-[4-[3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-3-oxopropyl]phenyl]-N-methylpyridine-2-carboxamide
CID 155518730
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methyl-5-sulfamoylisoquinoline-1-carboxamide
CID 164631580
5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118266653
5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 122694363
5-[3-(amino-methylidene-oxo-lambda6-sulfanyl)-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 159344674
N'-(2,3,5,6-tetramethylphenyl)sulfonylisoquinoline-1-carbohydrazide
CID 44759904

Frequently Asked Questions

What is the IUPAC name of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide?
The IUPAC name of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide (CID 118257067) is 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide.
What is the SMILES notation for 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide?
The canonical SMILES for 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide is NC(=O)c1nccc2cc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)ccc12.
What is the InChIKey of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide?
The InChIKey is BMTFZBSAMOYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O3S/c18-16(25)15-12-5-4-9(8-10(12)6-7-20-15)11-2-1-3-13(28(19,26)27)14(11)17-21-23-24-22-17/h1-8H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24).
What are the key properties of 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide?
6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 118257067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).