2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

C15H15N5O2S — CID 4795468

IUPAC2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(C)c1
InChIInChI=1S/C15H15N5O2S/c1-11-3-8-15(12(2)9-11)23(21,22)17-13-4-6-14(7-5-13)20-10-16-18-19-20/h3-10,17H,1-2H3
InChIKeyDUFKCJKTTPACGD-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.08
Rot. Bonds4

About 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 4795468) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID4795468
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(C)c1
InChIInChI=1S/C15H15N5O2S/c1-11-3-8-15(12(2)9-11)23(21,22)17-13-4-6-14(7-5-13)20-10-16-18-19-20/h3-10,17H,1-2H3
InChIKeyDUFKCJKTTPACGD-UHFFFAOYSA-N
XLogP2.08
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 4795468) is 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is DUFKCJKTTPACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-11-3-8-15(12(2)9-11)23(21,22)17-13-4-6-14(7-5-13)20-10-16-18-19-20/h3-10,17H,1-2H3.
What are the key properties of 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4795468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).