N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide

C19H23NO3S — CID 110446036

IUPACN-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1C1(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C19H23NO3S/c1-13-11-14(2)18(15(3)12-13)24(21,22)20-19(9-10-19)16-7-5-6-8-17(16)23-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyROSHGWAPBPSAKY-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide

N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110446036) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID110446036
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1C1(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C19H23NO3S/c1-13-11-14(2)18(15(3)12-13)24(21,22)20-19(9-10-19)16-7-5-6-8-17(16)23-4/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyROSHGWAPBPSAKY-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide (CID 110446036) is N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccccc1C1(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ROSHGWAPBPSAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13-11-14(2)18(15(3)12-13)24(21,22)20-19(9-10-19)16-7-5-6-8-17(16)23-4/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)cyclopropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110446036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).