N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide

C17H19NO3S — CID 113091232

IUPACN-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C2(NS(=O)(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-5-3-4-6-16(13)22(19,20)18-17(11-12-17)14-7-9-15(21-2)10-8-14/h3-10,18H,11-12H2,1-2H3
InChIKeyFMTXIKZWLHFQIL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide

N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide (PubChem CID 113091232) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide
PubChem CID113091232
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C2(NS(=O)(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-5-3-4-6-16(13)22(19,20)18-17(11-12-17)14-7-9-15(21-2)10-8-14/h3-10,18H,11-12H2,1-2H3
InChIKeyFMTXIKZWLHFQIL-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide (CID 113091232) is N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide is COc1ccc(C2(NS(=O)(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide?
The InChIKey is FMTXIKZWLHFQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-5-3-4-6-16(13)22(19,20)18-17(11-12-17)14-7-9-15(21-2)10-8-14/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide?
N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclopropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113091232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).