4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide

C14H13N5O2S — CID 57393943

IUPAC4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H13N5O2S/c1-10-2-4-11(5-3-10)14-16-17-18-19(14)12-6-8-13(9-7-12)22(15,20)21/h2-9H,1H3,(H2,15,20,21)
InChIKeyHTMKLWJRQWUJON-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.29
Rot. Bonds3

About 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide

4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide (PubChem CID 57393943) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide
PubChem CID57393943
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H13N5O2S/c1-10-2-4-11(5-3-10)14-16-17-18-19(14)12-6-8-13(9-7-12)22(15,20)21/h2-9H,1H3,(H2,15,20,21)
InChIKeyHTMKLWJRQWUJON-UHFFFAOYSA-N
XLogP1.29
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide (CID 57393943) is 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide?
The InChIKey is HTMKLWJRQWUJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-10-2-4-11(5-3-10)14-16-17-18-19(14)12-6-8-13(9-7-12)22(15,20)21/h2-9H,1H3,(H2,15,20,21).
What are the key properties of 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide?
4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide has a molecular weight of 315.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)tetrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 57393943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).