4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide

C23H29N3O4S — CID 3243019

IUPAC4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-18-5-8-20(9-6-18)31(28,29)24-21-17-19(23(27)26-13-15-30-16-14-26)7-10-22(21)25-11-3-2-4-12-25/h5-10,17,24H,2-4,11-16H2,1H3
InChIKeyCXEYYHGOBBQKFF-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.26
Rot. Bonds5

About 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide

4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide (PubChem CID 3243019) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide
PubChem CID3243019
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-18-5-8-20(9-6-18)31(28,29)24-21-17-19(23(27)26-13-15-30-16-14-26)7-10-22(21)25-11-3-2-4-12-25/h5-10,17,24H,2-4,11-16H2,1H3
InChIKeyCXEYYHGOBBQKFF-UHFFFAOYSA-N
XLogP3.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide (CID 3243019) is 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide?
The InChIKey is CXEYYHGOBBQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-18-5-8-20(9-6-18)31(28,29)24-21-17-19(23(27)26-13-15-30-16-14-26)7-10-22(21)25-11-3-2-4-12-25/h5-10,17,24H,2-4,11-16H2,1H3.
What are the key properties of 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide?
4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(morpholine-4-carbonyl)-2-piperidin-1-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 3243019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).