N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide

C18H20F2N2O3S — CID 24816008

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C1
InChIInChI=1S/C18H20F2N2O3S/c1-2-22-9-10-25-18(12-22)13-3-5-14(6-4-13)21-26(23,24)15-7-8-16(19)17(20)11-15/h3-8,11,18,21H,2,9-10,12H2,1H3
InChIKeySJKPUFRAVCFSTK-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.16
Rot. Bonds5

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide (PubChem CID 24816008) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide
PubChem CID24816008
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C1
InChIInChI=1S/C18H20F2N2O3S/c1-2-22-9-10-25-18(12-22)13-3-5-14(6-4-13)21-26(23,24)15-7-8-16(19)17(20)11-15/h3-8,11,18,21H,2,9-10,12H2,1H3
InChIKeySJKPUFRAVCFSTK-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide (CID 24816008) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is SJKPUFRAVCFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-2-22-9-10-25-18(12-22)13-3-5-14(6-4-13)21-26(23,24)15-7-8-16(19)17(20)11-15/h3-8,11,18,21H,2,9-10,12H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 382.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 24816008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).