N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide

C19H20N6O3S — CID 139004329

IUPACN-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cccc(-c2nnnn2C)c1
InChIInChI=1S/C19H20N6O3S/c1-12-6-7-14(19(26)20-15-8-9-15)11-17(12)22-29(27,28)16-5-3-4-13(10-16)18-21-23-24-25(18)2/h3-7,10-11,15,22H,8-9H2,1-2H3,(H,20,26)
InChIKeyVWORWJIAFWCYBQ-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.88
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide

N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide (PubChem CID 139004329) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide
PubChem CID139004329
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cccc(-c2nnnn2C)c1
InChIInChI=1S/C19H20N6O3S/c1-12-6-7-14(19(26)20-15-8-9-15)11-17(12)22-29(27,28)16-5-3-4-13(10-16)18-21-23-24-25(18)2/h3-7,10-11,15,22H,8-9H2,1-2H3,(H,20,26)
InChIKeyVWORWJIAFWCYBQ-UHFFFAOYSA-N
XLogP1.88
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
N-cyclohexyl-4-(1-methyltetrazol-5-yl)benzamide
CID 23541046
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338
3-(methanesulfonamido)-4-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 53281831
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
CID 141106921
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide (CID 139004329) is N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide is Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is VWORWJIAFWCYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-12-6-7-14(19(26)20-15-8-9-15)11-17(12)22-29(27,28)16-5-3-4-13(10-16)18-21-23-24-25(18)2/h3-7,10-11,15,22H,8-9H2,1-2H3,(H,20,26).
What are the key properties of N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide?
N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 412.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[3-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 139004329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).