3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide

C18H19ClN2O4S — CID 32684364

IUPAC3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c19-16-2-1-3-17(12-16)26(23,24)20-13-14-4-6-15(7-5-14)18(22)21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2
InChIKeyYVRHJTQNEKCASM-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.29
Rot. Bonds5

About 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide

3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 32684364) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID32684364
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c19-16-2-1-3-17(12-16)26(23,24)20-13-14-4-6-15(7-5-14)18(22)21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2
InChIKeyYVRHJTQNEKCASM-UHFFFAOYSA-N
XLogP2.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (CID 32684364) is 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCOCC1.
What is the InChIKey of 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is YVRHJTQNEKCASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-16-2-1-3-17(12-16)26(23,24)20-13-14-4-6-15(7-5-14)18(22)21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2.
What are the key properties of 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 32684364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).