4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide

C15H14FN5O2S — CID 166371798

IUPAC4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2cncc(NCc3ncc[nH]3)c2)c1
InChIInChI=1S/C15H14FN5O2S/c16-14-2-1-12(24(17,22)23)6-13(14)10-5-11(8-18-7-10)21-9-15-19-3-4-20-15/h1-8,21H,9H2,(H,19,20)(H2,17,22,23)
InChIKeyKOYOTRIVGCOHIF-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.87
Rot. Bonds5

About 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide

4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 166371798) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID166371798
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2cncc(NCc3ncc[nH]3)c2)c1
InChIInChI=1S/C15H14FN5O2S/c16-14-2-1-12(24(17,22)23)6-13(14)10-5-11(8-18-7-10)21-9-15-19-3-4-20-15/h1-8,21H,9H2,(H,19,20)(H2,17,22,23)
InChIKeyKOYOTRIVGCOHIF-UHFFFAOYSA-N
XLogP1.87
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674
N-(1H-imidazol-2-ylmethyl)-4-propylsulfonylaniline
CID 64530090
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-[5-(trifluoromethyl)-3-pyridinyl]aniline
CID 166397915
3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 84592277
3-fluoro-4-pyridin-4-ylbenzenesulfonamide
CID 131915526
4-amino-3-(1H-imidazol-2-ylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82901093
3-fluoro-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82855179
2,4-difluoro-N-(1H-imidazol-2-ylmethyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106069224
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 66112517
4-[[4-[2-(1H-imidazol-2-yl)ethylamino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 68820838
3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 64547692

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide (CID 166371798) is 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(-c2cncc(NCc3ncc[nH]3)c2)c1.
What is the InChIKey of 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is KOYOTRIVGCOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c16-14-2-1-12(24(17,22)23)6-13(14)10-5-11(8-18-7-10)21-9-15-19-3-4-20-15/h1-8,21H,9H2,(H,19,20)(H2,17,22,23).
What are the key properties of 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide?
4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 347.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[5-(1H-imidazol-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 166371798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).