2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

C16H17N5O2S — CID 7694146

IUPAC2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c(C)c1
InChIInChI=1S/C16H17N5O2S/c1-11-7-12(2)16(13(3)8-11)24(22,23)18-14-5-4-6-15(9-14)21-10-17-19-20-21/h4-10,18H,1-3H3
InChIKeyBKNRBQABYAQMLW-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.39
Rot. Bonds4

About 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 7694146) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID7694146
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c(C)c1
InChIInChI=1S/C16H17N5O2S/c1-11-7-12(2)16(13(3)8-11)24(22,23)18-14-5-4-6-15(9-14)21-10-17-19-20-21/h4-10,18H,1-3H3
InChIKeyBKNRBQABYAQMLW-UHFFFAOYSA-N
XLogP2.39
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 7694146) is 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is BKNRBQABYAQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-11-7-12(2)16(13(3)8-11)24(22,23)18-14-5-4-6-15(9-14)21-10-17-19-20-21/h4-10,18H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7694146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).