5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide

C12H10ClFN2O2S — CID 110759353

IUPAC5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFN2O2S/c13-9-4-5-11(14)12(7-9)19(17,18)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyBXFCTCBAOFXKCW-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.35
Rot. Bonds4

About 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide

5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 110759353) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID110759353
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H10ClFN2O2S/c13-9-4-5-11(14)12(7-9)19(17,18)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyBXFCTCBAOFXKCW-UHFFFAOYSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61112651
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 116791368
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1258403
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 147469704
2,5-dichloro-3,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 40734479
2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819553
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 110759353) is 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BXFCTCBAOFXKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-9-4-5-11(14)12(7-9)19(17,18)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2.
What are the key properties of 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110759353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).