N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide

C17H16N6O3S — CID 118266208

IUPACN-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H16N6O3S/c18-27(25,26)14-3-1-2-13(15(14)16-20-22-23-21-16)10-4-6-11(7-5-10)17(24)19-12-8-9-12/h1-7,12H,8-9H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23)
InChIKeyFKLRUZDSWZRUBC-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.07
Rot. Bonds5

About N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide

N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 118266208) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID118266208
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC NameN-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H16N6O3S/c18-27(25,26)14-3-1-2-13(15(14)16-20-22-23-21-16)10-4-6-11(7-5-10)17(24)19-12-8-9-12/h1-7,12H,8-9H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23)
InChIKeyFKLRUZDSWZRUBC-UHFFFAOYSA-N
XLogP1.07
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide (CID 118266208) is N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is NS(=O)(=O)c1cccc(-c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is FKLRUZDSWZRUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c18-27(25,26)14-3-1-2-13(15(14)16-20-22-23-21-16)10-4-6-11(7-5-10)17(24)19-12-8-9-12/h1-7,12H,8-9H2,(H,19,24)(H2,18,25,26)(H,20,21,22,23).
What are the key properties of N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide?
N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 384.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 118266208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).