4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

C22H19N5O3S — CID 55762438

IUPAC4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C22H19N5O3S/c1-16-24-25-26-27(16)20-7-5-6-19(14-20)23-22(28)18-12-10-17(11-13-18)15-31(29,30)21-8-3-2-4-9-21/h2-14H,15H2,1H3,(H,23,28)
InChIKeyNFQAVPLNVHEWQZ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.20
Rot. Bonds6

About 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (PubChem CID 55762438) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
PubChem CID55762438
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C22H19N5O3S/c1-16-24-25-26-27(16)20-7-5-6-19(14-20)23-22(28)18-12-10-17(11-13-18)15-31(29,30)21-8-3-2-4-9-21/h2-14H,15H2,1H3,(H,23,28)
InChIKeyNFQAVPLNVHEWQZ-UHFFFAOYSA-N
XLogP3.20
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55677099
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55677091
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676850
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
N-[3-(5-methyltetrazol-1-yl)phenyl]quinoxaline-6-carboxamide
CID 131894718
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55679296
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (CID 55762438) is 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is Cc1nnnn1-c1cccc(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is NFQAVPLNVHEWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-16-24-25-26-27(16)20-7-5-6-19(14-20)23-22(28)18-12-10-17(11-13-18)15-31(29,30)21-8-3-2-4-9-21/h2-14H,15H2,1H3,(H,23,28).
What are the key properties of 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55762438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).