2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

C14H20FN3O3S — CID 154750779

IUPAC2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNC1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C1
InChIInChI=1S/C14H20FN3O3S/c1-16-11-4-3-7-18(9-11)14(19)10-5-6-12(15)13(8-10)22(20,21)17-2/h5-6,8,11,16-17H,3-4,7,9H2,1-2H3
InChIKeyQEMMUDCLRZWSKE-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.56
Rot. Bonds4

About 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide

2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 154750779) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID154750779
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
SMILESCNC1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C1
InChIInChI=1S/C14H20FN3O3S/c1-16-11-4-3-7-18(9-11)14(19)10-5-6-12(15)13(8-10)22(20,21)17-2/h5-6,8,11,16-17H,3-4,7,9H2,1-2H3
InChIKeyQEMMUDCLRZWSKE-UHFFFAOYSA-N
XLogP0.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 124575570
2-fluoro-5-[3-(methanesulfonamido)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 55930964
N-cyclopropyl-2-fluoro-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78852420
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124587947
[4-(4-chlorophenoxy)-3-fluorophenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492276
[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575236

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide (CID 154750779) is 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is CNC1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)C1.
What is the InChIKey of 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is QEMMUDCLRZWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-16-11-4-3-7-18(9-11)14(19)10-5-6-12(15)13(8-10)22(20,21)17-2/h5-6,8,11,16-17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide?
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 154750779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).