3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide

C18H27F2N3O3S — CID 164643034

IUPAC3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(c1cc(F)cc(F)c1)N(CCCN1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C18H27F2N3O3S/c19-15-11-16(20)13-18(12-15)27(24,25)23(17-3-1-4-21-14-17)6-2-5-22-7-9-26-10-8-22/h11-13,17,21H,1-10,14H2/t17-/m0/s1
InChIKeyACPCWPORRXRZCL-KRWDZBQOSA-N
MW403.50 g/mol
LogP1.43
Rot. Bonds7

About 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide

3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 164643034) has the molecular formula C18H27F2N3O3S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID164643034
Molecular FormulaC18H27F2N3O3S
Molecular Weight403.50 g/mol
Exact Mass403.17
IUPAC Name3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(c1cc(F)cc(F)c1)N(CCCN1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C18H27F2N3O3S/c19-15-11-16(20)13-18(12-15)27(24,25)23(17-3-1-4-21-14-17)6-2-5-22-7-9-26-10-8-22/h11-13,17,21H,1-10,14H2/t17-/m0/s1
InChIKeyACPCWPORRXRZCL-KRWDZBQOSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 164643034) is 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide is O=S(=O)(c1cc(F)cc(F)c1)N(CCCN1CCOCC1)[C@H]1CCCNC1.
What is the InChIKey of 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is ACPCWPORRXRZCL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27F2N3O3S/c19-15-11-16(20)13-18(12-15)27(24,25)23(17-3-1-4-21-14-17)6-2-5-22-7-9-26-10-8-22/h11-13,17,21H,1-10,14H2/t17-/m0/s1.
What are the key properties of 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-morpholin-4-ylpropyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 164643034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).