4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C17H15F3N6O3S — CID 25073174

IUPAC4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1nnc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C17H15F3N6O3S/c1-26-23-16(22-25-26)24-30(28,29)14-8-4-12(5-9-14)15(27)21-10-11-2-6-13(7-3-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,27)(H,23,24)
InChIKeyCMRQZHLWBAIWLV-UHFFFAOYSA-N
MW440.41 g/mol
LogP1.96
Rot. Bonds6

About 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 25073174) has the molecular formula C17H15F3N6O3S and a molecular weight of 440.41 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID25073174
Molecular FormulaC17H15F3N6O3S
Molecular Weight440.41 g/mol
Exact Mass440.09
IUPAC Name4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCn1nnc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1
InChIInChI=1S/C17H15F3N6O3S/c1-26-23-16(22-25-26)24-30(28,29)14-8-4-12(5-9-14)15(27)21-10-11-2-6-13(7-3-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,27)(H,23,24)
InChIKeyCMRQZHLWBAIWLV-UHFFFAOYSA-N
XLogP1.96
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
4-(methylsulfamoyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774274
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-(methanesulfonamido)-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 167789221
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55587041
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 25073174) is 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cn1nnc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is CMRQZHLWBAIWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O3S/c1-26-23-16(22-25-26)24-30(28,29)14-8-4-12(5-9-14)15(27)21-10-11-2-6-13(7-3-11)17(18,19)20/h2-9H,10H2,1H3,(H,21,27)(H,23,24).
What are the key properties of 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 440.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 25073174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).