N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide

C19H22N2O4S — CID 1106269

IUPACN-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)21(15-16-5-3-2-4-6-16)18-9-7-17(8-10-18)19(22)20-11-13-25-14-12-20/h2-10H,11-15H2,1H3
InChIKeyGUDHZGITTVNARN-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.13
Rot. Bonds5

About N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide

N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide (PubChem CID 1106269) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
PubChem CID1106269
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)21(15-16-5-3-2-4-6-16)18-9-7-17(8-10-18)19(22)20-11-13-25-14-12-20/h2-10H,11-15H2,1H3
InChIKeyGUDHZGITTVNARN-UHFFFAOYSA-N
XLogP2.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide (CID 1106269) is N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
The InChIKey is GUDHZGITTVNARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)21(15-16-5-3-2-4-6-16)18-9-7-17(8-10-18)19(22)20-11-13-25-14-12-20/h2-10H,11-15H2,1H3.
What are the key properties of N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide?
N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1106269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).