4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide

C15H16N6O2S — CID 57345687

IUPAC4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N6O2S/c1-20(2)12-5-3-11(4-6-12)15-17-18-19-21(15)13-7-9-14(10-8-13)24(16,22)23/h3-10H,1-2H3,(H2,16,22,23)
InChIKeyPEAUGDFUKONOLK-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.04
Rot. Bonds4

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

4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide (PubChem CID 57345687) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide
PubChem CID57345687
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H16N6O2S/c1-20(2)12-5-3-11(4-6-12)15-17-18-19-21(15)13-7-9-14(10-8-13)24(16,22)23/h3-10H,1-2H3,(H2,16,22,23)
InChIKeyPEAUGDFUKONOLK-UHFFFAOYSA-N
XLogP1.04
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide (CID 57345687) is 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide is CN(C)c1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide?
The InChIKey is PEAUGDFUKONOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-20(2)12-5-3-11(4-6-12)15-17-18-19-21(15)13-7-9-14(10-8-13)24(16,22)23/h3-10H,1-2H3,(H2,16,22,23).
What are the key properties of 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide?
4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(dimethylamino)phenyl]tetrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 57345687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).