3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide

C17H25F2N3O3S — CID 164635900

IUPAC3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(CCN1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C17H25F2N3O3S/c18-16-4-3-15(12-17(16)19)26(23,24)22(14-2-1-5-20-13-14)7-6-21-8-10-25-11-9-21/h3-4,12,14,20H,1-2,5-11,13H2/t14-/m0/s1
InChIKeyHIUXUIWQOYUDMN-AWEZNQCLSA-N
MW389.47 g/mol
LogP1.04
Rot. Bonds6

About 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide

3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 164635900) has the molecular formula C17H25F2N3O3S and a molecular weight of 389.47 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID164635900
Molecular FormulaC17H25F2N3O3S
Molecular Weight389.47 g/mol
Exact Mass389.16
IUPAC Name3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(CCN1CCOCC1)[C@H]1CCCNC1
InChIInChI=1S/C17H25F2N3O3S/c18-16-4-3-15(12-17(16)19)26(23,24)22(14-2-1-5-20-13-14)7-6-21-8-10-25-11-9-21/h3-4,12,14,20H,1-2,5-11,13H2/t14-/m0/s1
InChIKeyHIUXUIWQOYUDMN-AWEZNQCLSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 164635900) is 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide is O=S(=O)(c1ccc(F)c(F)c1)N(CCN1CCOCC1)[C@H]1CCCNC1.
What is the InChIKey of 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is HIUXUIWQOYUDMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25F2N3O3S/c18-16-4-3-15(12-17(16)19)26(23,24)22(14-2-1-5-20-13-14)7-6-21-8-10-25-11-9-21/h3-4,12,14,20H,1-2,5-11,13H2/t14-/m0/s1.
What are the key properties of 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 389.47 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-morpholin-4-ylethyl)-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 164635900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).