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

C18H20N2O4S — CID 1097769

IUPAC4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-5-7-17(8-6-14)25(22,23)19-16-4-2-3-15(13-16)18(21)20-9-11-24-12-10-20/h2-8,13,19H,9-12H2,1H3
InChIKeyNBBZQKSCNVTTDU-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.27
Rot. Bonds4

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

4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1097769) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID1097769
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-5-7-17(8-6-14)25(22,23)19-16-4-2-3-15(13-16)18(21)20-9-11-24-12-10-20/h2-8,13,19H,9-12H2,1H3
InChIKeyNBBZQKSCNVTTDU-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 1097769) is 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is NBBZQKSCNVTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14-5-7-17(8-6-14)25(22,23)19-16-4-2-3-15(13-16)18(21)20-9-11-24-12-10-20/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1097769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).