2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C19H22N2O4S — CID 24663235

IUPAC2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-7-8-15(2)18(13-14)26(23,24)20-17-6-4-3-5-16(17)19(22)21-9-11-25-12-10-21/h3-8,13,20H,9-12H2,1-2H3
InChIKeyZKEZGXAJIFLJCT-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds4

About 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 24663235) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID24663235
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N2O4S/c1-14-7-8-15(2)18(13-14)26(23,24)20-17-6-4-3-5-16(17)19(22)21-9-11-25-12-10-21/h3-8,13,20H,9-12H2,1-2H3
InChIKeyZKEZGXAJIFLJCT-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 24663235) is 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ZKEZGXAJIFLJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-7-8-15(2)18(13-14)26(23,24)20-17-6-4-3-5-16(17)19(22)21-9-11-25-12-10-21/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24663235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).