N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

C18H22N2O3S — CID 24816090

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C18H22N2O3S/c1-2-20-12-13-23-18(14-20)15-8-10-16(11-9-15)19-24(21,22)17-6-4-3-5-7-17/h3-11,18-19H,2,12-14H2,1H3
InChIKeyMRPSPOPXOFUWDA-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.88
Rot. Bonds5

About N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (PubChem CID 24816090) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
PubChem CID24816090
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C18H22N2O3S/c1-2-20-12-13-23-18(14-20)15-8-10-16(11-9-15)19-24(21,22)17-6-4-3-5-7-17/h3-11,18-19H,2,12-14H2,1H3
InChIKeyMRPSPOPXOFUWDA-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.88
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]benzenesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide (CID 24816090) is N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is MRPSPOPXOFUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-20-12-13-23-18(14-20)15-8-10-16(11-9-15)19-24(21,22)17-6-4-3-5-7-17/h3-11,18-19H,2,12-14H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.88, 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]benzenesulfonamide is sourced from PubChem (CID 24816090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).