3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C16H13N7O2S — CID 118257012

IUPAC3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1nccc2ccc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)cc12
InChIInChI=1S/C16H13N7O2S/c17-15-12-8-10(5-4-9(12)6-7-19-15)11-2-1-3-13(26(18,24)25)14(11)16-20-22-23-21-16/h1-8H,(H2,17,19)(H2,18,24,25)(H,20,21,22,23)
InChIKeyLLVCLLGPMXTTSO-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.31
Rot. Bonds3

About 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257012) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257012
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1nccc2ccc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)cc12
InChIInChI=1S/C16H13N7O2S/c17-15-12-8-10(5-4-9(12)6-7-19-15)11-2-1-3-13(26(18,24)25)14(11)16-20-22-23-21-16/h1-8H,(H2,17,19)(H2,18,24,25)(H,20,21,22,23)
InChIKeyLLVCLLGPMXTTSO-UHFFFAOYSA-N
XLogP1.31
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-[4-methyl-3-[(Z)-2-(methylideneamino)ethenyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130238599
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257012) is 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1nccc2ccc(-c3cccc(S(N)(=O)=O)c3-c3nn[nH]n3)cc12.
What is the InChIKey of 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is LLVCLLGPMXTTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c17-15-12-8-10(5-4-9(12)6-7-19-15)11-2-1-3-13(26(18,24)25)14(11)16-20-22-23-21-16/h1-8H,(H2,17,19)(H2,18,24,25)(H,20,21,22,23).
What are the key properties of 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).