N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide

C13H13ClFN3O2S — CID 106086586

IUPACN-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H13ClFN3O2S/c1-16-8-9-4-5-10(15)7-12(9)21(19,20)18-13-11(14)3-2-6-17-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyNYBZKUJYOKOLNH-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.39
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide

N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 106086586) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
PubChem CID106086586
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC NameN-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H13ClFN3O2S/c1-16-8-9-4-5-10(15)7-12(9)21(19,20)18-13-11(14)3-2-6-17-13/h2-7,16H,8H2,1H3,(H,17,18)
InChIKeyNYBZKUJYOKOLNH-UHFFFAOYSA-N
XLogP2.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
5-fluoro-2-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081960
3-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 62228513
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106086603
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920827
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide (CID 106086586) is N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is NYBZKUJYOKOLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c1-16-8-9-4-5-10(15)7-12(9)21(19,20)18-13-11(14)3-2-6-17-13/h2-7,16H,8H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide?
N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106086586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).