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

C13H19N5O2S — CID 3164032

IUPAC2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1-n1cnnn1
InChIInChI=1S/C13H19N5O2S/c1-8(2)15-21(19,20)13-10(4)6-9(3)12(11(13)5)18-7-14-16-17-18/h6-8,15H,1-5H3
InChIKeyMWEQZALNCXNLCO-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.27
Rot. Bonds4

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

2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 3164032) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID3164032
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1-n1cnnn1
InChIInChI=1S/C13H19N5O2S/c1-8(2)15-21(19,20)13-10(4)6-9(3)12(11(13)5)18-7-14-16-17-18/h6-8,15H,1-5H3
InChIKeyMWEQZALNCXNLCO-UHFFFAOYSA-N
XLogP1.27
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.27
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-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide (CID 3164032) is 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(C)C)c(C)c1-n1cnnn1.
What is the InChIKey of 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is MWEQZALNCXNLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-8(2)15-21(19,20)13-10(4)6-9(3)12(11(13)5)18-7-14-16-17-18/h6-8,15H,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide?
2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 309.40 g/mol, XLogP of 1.27, 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-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 3164032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).