1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea

C19H16FN3O3S — CID 66611177

IUPAC1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H16FN3O3S/c20-15-4-1-5-18(11-15)27(25,26)17-8-6-16(7-9-17)23-19(24)22-13-14-3-2-10-21-12-14/h1-12H,13H2,(H2,22,23,24)
InChIKeyJCIQSIPMJVNDAZ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.38
Rot. Bonds5

About 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66611177) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66611177
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H16FN3O3S/c20-15-4-1-5-18(11-15)27(25,26)17-8-6-16(7-9-17)23-19(24)22-13-14-3-2-10-21-12-14/h1-12H,13H2,(H2,22,23,24)
InChIKeyJCIQSIPMJVNDAZ-UHFFFAOYSA-N
XLogP3.38
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(Piperidin-1-Ylsulfonyl)phenyl]-3-(Pyridin-3-Ylmethyl)thiourea
CID 2803102
1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
US9676721, 32 2-cyano-1-({4-[(3,5-difluorobenzene)sulfonyl]phenyl}methyl)-3-(pyridin-4-yl)guanidine
CID 56929542
1-(4-Methylsulfanylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 2826086
US9676721, 108 3-{[4-(benzenesulfonyl)phenyl]methyl}-2-cyano-1-(pyridin-4-yl)guanidine
CID 56928682
1-[4-(Azetidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 56929243
N-[[4-(benzenesulfonyl)phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 56943206
N-[[4-(benzenesulfonyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 66609666
1-(4-(Phenylsulfonyl)phenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610067
1-[4-(Phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610210
1-(4-Morpholin-4-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610246
1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610338

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea (CID 66611177) is 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is JCIQSIPMJVNDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-15-4-1-5-18(11-15)27(25,26)17-8-6-16(7-9-17)23-19(24)22-13-14-3-2-10-21-12-14/h1-12H,13H2,(H2,22,23,24).
What are the key properties of 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 385.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66611177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).