1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea

C18H15ClN4O3S — CID 135222596

IUPAC1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H15ClN4O3S/c19-14-1-6-17(21-12-14)27(25,26)16-4-2-15(3-5-16)23-18(24)22-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H2,22,23,24)
InChIKeyNNBLTDMVAZRTBT-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.28
Rot. Bonds5

About 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135222596) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135222596
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC Name1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H15ClN4O3S/c19-14-1-6-17(21-12-14)27(25,26)16-4-2-15(3-5-16)23-18(24)22-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H2,22,23,24)
InChIKeyNNBLTDMVAZRTBT-UHFFFAOYSA-N
XLogP3.28
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-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-(4-(Phenylsulfonyl)phenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610067
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-Piperidin-1-ylsulfonylphenyl)-3-(2-pyridin-3-ylethyl)urea
CID 66611089
1-[4-(2-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222518
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222553
1-[4-(Benzenesulfonyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222558
1-[4-(3-Chlorophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222563
3-{4-[(2-Chloro-4-fluorophenyl)sulfamoyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 66610330
1-[4-(Benzenesulfonyl)phenyl]-3-[(2-methyl-3-pyridinyl)methyl]urea
CID 71655701
1-[4-(Benzenesulfonyl)phenyl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 71655705
1-[4-(Benzenesulfonyl)phenyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 71655768

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135222596) is 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cn2)cc1.
What is the InChIKey of 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is NNBLTDMVAZRTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c19-14-1-6-17(21-12-14)27(25,26)16-4-2-15(3-5-16)23-18(24)22-11-13-7-9-20-10-8-13/h1-10,12H,11H2,(H2,22,23,24).
What are the key properties of 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 402.86 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-pyridinyl)sulfonyl]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135222596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).