5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide

C16H25FN2O2S — CID 42960760

IUPAC5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(C)N1CCCCC1C
InChIInChI=1S/C16H25FN2O2S/c1-12-7-8-15(17)10-16(12)22(20,21)18-11-14(3)19-9-5-4-6-13(19)2/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyDIQJGOVLBDMMOU-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.68
Rot. Bonds5

About 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide

5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 42960760) has the molecular formula C16H25FN2O2S and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID42960760
Molecular FormulaC16H25FN2O2S
Molecular Weight328.45 g/mol
Exact Mass328.16
IUPAC Name5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(C)N1CCCCC1C
InChIInChI=1S/C16H25FN2O2S/c1-12-7-8-15(17)10-16(12)22(20,21)18-11-14(3)19-9-5-4-6-13(19)2/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3
InChIKeyDIQJGOVLBDMMOU-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-2-cyclopropylethyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113271162
methyl 4-[[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]sulfamoyl]benzoate
CID 39664343
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
N-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(5-fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]-4-methylsulfonylbenzamide
CID 11318685
1-(2,4-difluorophenyl)-3-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiourea
CID 98682579
5-fluoro-2-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 39656758
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
5-fluoro-2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778621
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684545
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064565
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide (CID 42960760) is 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCC(C)N1CCCCC1C.
What is the InChIKey of 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is DIQJGOVLBDMMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2S/c1-12-7-8-15(17)10-16(12)22(20,21)18-11-14(3)19-9-5-4-6-13(19)2/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3.
What are the key properties of 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 328.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 42960760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).