2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide

C24H25N5O5S — CID 175653415

IUPAC2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2nnn(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H25N5O5S/c1-32-21-10-4-18(5-11-21)16-28(17-19-6-12-22(33-2)13-7-19)35(30,31)24-25-27-29(26-24)20-8-14-23(34-3)15-9-20/h4-15H,16-17H2,1-3H3
InChIKeyHCYFGVHXOFZFTF-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.08
Rot. Bonds10

About 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide

2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide (PubChem CID 175653415) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide
PubChem CID175653415
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2nnn(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H25N5O5S/c1-32-21-10-4-18(5-11-21)16-28(17-19-6-12-22(33-2)13-7-19)35(30,31)24-25-27-29(26-24)20-8-14-23(34-3)15-9-20/h4-15H,16-17H2,1-3H3
InChIKeyHCYFGVHXOFZFTF-UHFFFAOYSA-N
XLogP3.08
TPSA108.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methoxyphenyl)-5-(4-methylphenyl)sulfonyltetrazole
CID 170913262
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 63664523
1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 83084527
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
CID 155068946
1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 171783939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide (CID 175653415) is 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2nnn(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide?
The InChIKey is HCYFGVHXOFZFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-32-21-10-4-18(5-11-21)16-28(17-19-6-12-22(33-2)13-7-19)35(30,31)24-25-27-29(26-24)20-8-14-23(34-3)15-9-20/h4-15H,16-17H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide?
2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide has a molecular weight of 495.56 g/mol, XLogP of 3.08, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide is sourced from PubChem (CID 175653415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).