N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide

C12H17NO2S — CID 891756

IUPACN-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1
InChIInChI=1S/C12H17NO2S/c1-8-6-9(2)12(10(3)7-8)16(14,15)13-11-4-5-11/h6-7,11,13H,4-5H2,1-3H3
InChIKeyBONVZTRHHHMLTJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.05
Rot. Bonds3

About N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide

N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide (PubChem CID 891756) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
PubChem CID891756
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1
InChIInChI=1S/C12H17NO2S/c1-8-6-9(2)12(10(3)7-8)16(14,15)13-11-4-5-11/h6-7,11,13H,4-5H2,1-3H3
InChIKeyBONVZTRHHHMLTJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide (CID 891756) is N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is BONVZTRHHHMLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-9(2)12(10(3)7-8)16(14,15)13-11-4-5-11/h6-7,11,13H,4-5H2,1-3H3.
What are the key properties of N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide?
N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 891756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).