3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide

C12H17FN2O3S — CID 104982668

IUPAC3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h4-5,7,9,14-15H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyIVHNRXIXNIYQTC-VIFPVBQESA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide

3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 104982668) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID104982668
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1F
InChIInChI=1S/C12H17FN2O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h4-5,7,9,14-15H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyIVHNRXIXNIYQTC-VIFPVBQESA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982546
4-methoxy-3-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723780
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
4-(difluoromethoxy)-3-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120874646
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
2-fluoro-5-methylsulfonyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982715

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 104982668) is 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H]2CCCNC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is IVHNRXIXNIYQTC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-12-5-4-10(7-11(12)13)19(16,17)15-9-3-2-6-14-8-9/h4-5,7,9,14-15H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 104982668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).