1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea

C16H19FN4O3S — CID 91571266

IUPAC1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESCCS(=O)(=O)N(C)Cc1cc(F)cc(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H19FN4O3S/c1-3-25(23,24)21(2)11-12-7-13(17)9-15(8-12)20-16(22)19-14-5-4-6-18-10-14/h4-10H,3,11H2,1-2H3,(H2,19,20,22)
InChIKeyYGDWUVLKJSFBRG-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.65
Rot. Bonds6

About 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea

1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea (PubChem CID 91571266) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea
PubChem CID91571266
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC Name1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESCCS(=O)(=O)N(C)Cc1cc(F)cc(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H19FN4O3S/c1-3-25(23,24)21(2)11-12-7-13(17)9-15(8-12)20-16(22)19-14-5-4-6-18-10-14/h4-10H,3,11H2,1-2H3,(H2,19,20,22)
InChIKeyYGDWUVLKJSFBRG-UHFFFAOYSA-N
XLogP2.65
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 11551861
1-[3-[2-(4-acetylpiperazin-1-yl)ethyl]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 66677011
1-[3-[2-(ethylsulfonylmethylamino)ethoxy]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 67036695
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
4-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenyl]propyl]piperazine-1-carboxylic acid
CID 68542803
methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
CID 11709959
1-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-3-pyridin-3-ylurea
CID 66548508
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
N-[3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]propoxy]acetamide
CID 91489253
1-[3-fluoro-5-(pyrrol-1-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 142687518

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea (CID 91571266) is 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea is CCS(=O)(=O)N(C)Cc1cc(F)cc(NC(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea?
The InChIKey is YGDWUVLKJSFBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-3-25(23,24)21(2)11-12-7-13(17)9-15(8-12)20-16(22)19-14-5-4-6-18-10-14/h4-10H,3,11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea?
1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea has a molecular weight of 366.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[ethylsulfonyl(methyl)amino]methyl]-5-fluorophenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 91571266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).