1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea

C19H16ClN3O3S — CID 135222518

IUPAC1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-17-3-1-2-4-18(17)27(25,26)16-7-5-15(6-8-16)23-19(24)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H2,22,23,24)
InChIKeySYUFOLLUZULGAV-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.89
Rot. Bonds5

About 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135222518) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135222518
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-17-3-1-2-4-18(17)27(25,26)16-7-5-15(6-8-16)23-19(24)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H2,22,23,24)
InChIKeySYUFOLLUZULGAV-UHFFFAOYSA-N
XLogP3.89
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
US9676721, 1 (E)-3-({4-[(3-chlorobenzene)sulfonyl]phenyl}methyl)-2-cyano-1-(pyridin-4-yl)guanidine
CID 56929163
1-(4-(Phenylsulfonyl)phenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610067
1-[4-(Phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610210
1-[4-(Benzenesulfonyl)phenyl]-3-pyridin-3-ylurea
CID 66610600
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610717
1-[4-(4-Chlorophenyl)sulfanylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610923
1-[4-(Benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 68248942
1-[4-(Benzenesulfonyl)phenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 71655703
1-[4-[Benzyl(methyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222512
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222553
1-[4-(Benzenesulfonyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222558

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea (CID 135222518) is 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is SYUFOLLUZULGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-17-3-1-2-4-18(17)27(25,26)16-7-5-15(6-8-16)23-19(24)22-13-14-9-11-21-12-10-14/h1-12H,13H2,(H2,22,23,24).
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 401.88 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135222518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).