N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C22H21N5O2S — CID 3202148

IUPACN-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C22H21N5O2S/c1-17-14-20(12-13-22(17)27-16-23-25-26-27)30(28,29)24-15-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,16,21,24H,15H2,1H3
InChIKeyWJWUVMOEHKNWMA-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.08
Rot. Bonds7

About N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 3202148) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID3202148
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C22H21N5O2S/c1-17-14-20(12-13-22(17)27-16-23-25-26-27)30(28,29)24-15-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,16,21,24H,15H2,1H3
InChIKeyWJWUVMOEHKNWMA-UHFFFAOYSA-N
XLogP3.08
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 3202148) is N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is WJWUVMOEHKNWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-17-14-20(12-13-22(17)27-16-23-25-26-27)30(28,29)24-15-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14,16,21,24H,15H2,1H3.
What are the key properties of N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 3202148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).