4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide

C14H13N5O3S — CID 169370934

IUPAC4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C14H13N5O3S/c1-10-2-8-13(9-3-10)23(20,21)17-11-4-6-12(7-5-11)22-14-15-18-19-16-14/h2-9,17H,1H3,(H,15,16,18,19)
InChIKeyCONZRQNVNPMVJM-UHFFFAOYSA-N
MW331.36 g/mol
LogP2.10
Rot. Bonds5

About 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide

4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide (PubChem CID 169370934) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
PubChem CID169370934
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C14H13N5O3S/c1-10-2-8-13(9-3-10)23(20,21)17-11-4-6-12(7-5-11)22-14-15-18-19-16-14/h2-9,17H,1H3,(H,15,16,18,19)
InChIKeyCONZRQNVNPMVJM-UHFFFAOYSA-N
XLogP2.10
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylphenoxy)-2H-tetrazole
CID 5152789
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
2-(4-methyl-N-methylsulfonylanilino)-N-[4-(2H-tetrazol-5-yloxy)phenyl]acetamide
CID 131896194
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
CID 108783145
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide (CID 169370934) is 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide?
The InChIKey is CONZRQNVNPMVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-10-2-8-13(9-3-10)23(20,21)17-11-4-6-12(7-5-11)22-14-15-18-19-16-14/h2-9,17H,1H3,(H,15,16,18,19).
What are the key properties of 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide?
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 169370934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).