2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide

C10H13N5O2S — CID 1232477

IUPAC2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1
InChIInChI=1S/C10H13N5O2S/c1-6-4-7(2)10(18(11,16)17)8(3)9(6)15-5-12-13-14-15/h4-5H,1-3H3,(H2,11,16,17)
InChIKeyFGOUZHWQYGHHTB-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.23
Rot. Bonds2

About 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide

2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1232477) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1232477
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1
InChIInChI=1S/C10H13N5O2S/c1-6-4-7(2)10(18(11,16)17)8(3)9(6)15-5-12-13-14-15/h4-5H,1-3H3,(H2,11,16,17)
InChIKeyFGOUZHWQYGHHTB-UHFFFAOYSA-N
XLogP0.23
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.23
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-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide (CID 1232477) is 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1.
What is the InChIKey of 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is FGOUZHWQYGHHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6-4-7(2)10(18(11,16)17)8(3)9(6)15-5-12-13-14-15/h4-5H,1-3H3,(H2,11,16,17).
What are the key properties of 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1232477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).