N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide

C21H19N5O3S — CID 171350497

IUPACN-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C21H19N5O3S/c1-14-3-5-15(6-4-14)16-7-10-18(11-8-16)30(27,28)24-20-13-17(29-2)9-12-19(20)21-22-25-26-23-21/h3-13,24H,1-2H3,(H,22,23,25,26)
InChIKeyAWLHQSJGWOFZKX-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.65
Rot. Bonds6

About N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide

N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide (PubChem CID 171350497) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
PubChem CID171350497
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C21H19N5O3S/c1-14-3-5-15(6-4-14)16-7-10-18(11-8-16)30(27,28)24-20-13-17(29-2)9-12-19(20)21-22-25-26-23-21/h3-13,24H,1-2H3,(H,22,23,25,26)
InChIKeyAWLHQSJGWOFZKX-UHFFFAOYSA-N
XLogP3.65
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169372273
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
CID 169370934

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide (CID 171350497) is N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide is COc1ccc(-c2nn[nH]n2)c(NS(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
The InChIKey is AWLHQSJGWOFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-14-3-5-15(6-4-14)16-7-10-18(11-8-16)30(27,28)24-20-13-17(29-2)9-12-19(20)21-22-25-26-23-21/h3-13,24H,1-2H3,(H,22,23,25,26).
What are the key properties of N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide?
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 171350497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).