3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide

C13H13ClFN3O2S — CID 106065535

IUPAC3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(Cl)cc(CN)c1F
InChIInChI=1S/C13H13ClFN3O2S/c1-8-7-17-3-2-11(8)18-21(19,20)12-5-10(14)4-9(6-16)13(12)15/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyJULNRHLPWIVULG-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.44
Rot. Bonds4

About 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106065535) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106065535
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC Name3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(Cl)cc(CN)c1F
InChIInChI=1S/C13H13ClFN3O2S/c1-8-7-17-3-2-11(8)18-21(19,20)12-5-10(14)4-9(6-16)13(12)15/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyJULNRHLPWIVULG-UHFFFAOYSA-N
XLogP2.44
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 106594533
3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667962

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 106065535) is 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1cc(Cl)cc(CN)c1F.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is JULNRHLPWIVULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c1-8-7-17-3-2-11(8)18-21(19,20)12-5-10(14)4-9(6-16)13(12)15/h2-5,7H,6,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106065535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).