1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea

C19H18N4O3S — CID 66610210

IUPAC1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H18N4O3S/c24-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)27(25,26)23-17-6-2-1-3-7-17/h1-13,23H,14H2,(H2,21,22,24)
InChIKeyNFKNYUSRXHTVRX-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610210) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66610210
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H18N4O3S/c24-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)27(25,26)23-17-6-2-1-3-7-17/h1-13,23H,14H2,(H2,21,22,24)
InChIKeyNFKNYUSRXHTVRX-UHFFFAOYSA-N
XLogP3.20
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea (CID 66610210) is 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is NFKNYUSRXHTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-19(21-14-15-5-4-12-20-13-15)22-16-8-10-18(11-9-16)27(25,26)23-17-6-2-1-3-7-17/h1-13,23H,14H2,(H2,21,22,24).
What are the key properties of 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 382.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).