2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide

C22H20N6O3S — CID 56504121

IUPAC2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CNc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N6O3S/c1-32(30,31)18-13-11-17(12-14-18)28-21(25-26-27-28)15-23-20-10-6-5-9-19(20)22(29)24-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,29)
InChIKeyVIGRODGRKWRLNF-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.93
Rot. Bonds7

About 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide

2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide (PubChem CID 56504121) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
PubChem CID56504121
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC Name2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CNc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N6O3S/c1-32(30,31)18-13-11-17(12-14-18)28-21(25-26-27-28)15-23-20-10-6-5-9-19(20)22(29)24-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,29)
InChIKeyVIGRODGRKWRLNF-UHFFFAOYSA-N
XLogP2.93
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]naphthalen-1-amine
CID 47068669
4-chloro-2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-propylbenzamide
CID 55988428
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
5-fluoro-2-methyl-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]aniline
CID 47068674
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-methylsulfonylbenzamide
CID 27452404
N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,2-dihydroacenaphthylen-5-amine
CID 55988949
2-chloro-N-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-4-(trifluoromethyl)aniline
CID 55989209
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909
2-(2-acetylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42027103
2-[(4-methylsulfonylphenyl)methylamino]benzoic acid
CID 62232382
N-methyl-4-[(1-phenyltetrazol-5-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 60535540

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide?
The IUPAC name of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide (CID 56504121) is 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide?
The canonical SMILES for 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide is CS(=O)(=O)c1ccc(-n2nnnc2CNc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide?
The InChIKey is VIGRODGRKWRLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-32(30,31)18-13-11-17(12-14-18)28-21(25-26-27-28)15-23-20-10-6-5-9-19(20)22(29)24-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,24,29).
What are the key properties of 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide?
2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide has a molecular weight of 448.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]-N-phenylbenzamide is sourced from PubChem (CID 56504121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).