1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea

C19H16ClFN4O3S — CID 66610330

IUPAC1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H16ClFN4O3S/c20-17-10-14(21)3-8-18(17)25-29(27,28)16-6-4-15(5-7-16)24-19(26)23-12-13-2-1-9-22-11-13/h1-11,25H,12H2,(H2,23,24,26)
InChIKeyUBCCLYVPPCCSDJ-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.00
Rot. Bonds6

About 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610330) has the molecular formula C19H16ClFN4O3S and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66610330
Molecular FormulaC19H16ClFN4O3S
Molecular Weight434.88 g/mol
Exact Mass434.06
IUPAC Name1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C19H16ClFN4O3S/c20-17-10-14(21)3-8-18(17)25-29(27,28)16-6-4-15(5-7-16)24-19(26)23-12-13-2-1-9-22-11-13/h1-11,25H,12H2,(H2,23,24,26)
InChIKeyUBCCLYVPPCCSDJ-UHFFFAOYSA-N
XLogP4.00
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 987988
1-[4-(Azetidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 56929243
1-(4-(Phenylsulfonyl)phenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610067
1-[4-(Phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610210
1-[4-(Azepan-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610338
1-[(5-Fluoro-3-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 66610375
1-[4-(Butylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610702
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610717
1-(4-Piperidin-1-ylsulfonylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610798
1-[4-(4-Methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610852
1-[4-(4-Chlorophenyl)sulfanylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610923
1-[4-(3-Methylpiperidin-1-yl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610937

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea (CID 66610330) is 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is UBCCLYVPPCCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S/c20-17-10-14(21)3-8-18(17)25-29(27,28)16-6-4-15(5-7-16)24-19(26)23-12-13-2-1-9-22-11-13/h1-11,25H,12H2,(H2,23,24,26).
What are the key properties of 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 434.88 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-fluorophenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).