1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea

C18H15N3O3S — CID 66610600

IUPAC1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1cccnc1
InChIInChI=1S/C18H15N3O3S/c22-18(21-15-5-4-12-19-13-15)20-14-8-10-17(11-9-14)25(23,24)16-6-2-1-3-7-16/h1-13H,(H2,20,21,22)
InChIKeySUTPKGOERYDKLQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.56
Rot. Bonds4

About 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea

1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea (PubChem CID 66610600) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea
PubChem CID66610600
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1cccnc1
InChIInChI=1S/C18H15N3O3S/c22-18(21-15-5-4-12-19-13-15)20-14-8-10-17(11-9-14)25(23,24)16-6-2-1-3-7-16/h1-13H,(H2,20,21,22)
InChIKeySUTPKGOERYDKLQ-UHFFFAOYSA-N
XLogP3.56
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-({[(4-Fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 74766010
1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
1-(4-(Phenylsulfonyl)phenyl)-3-(pyridin-3-ylmethyl)urea
CID 66610067
1-[4-(Phenylsulfamoyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610210
1-[4-(4-Chlorophenyl)sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610717
1-[4-(Benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 68248942
1-[4-(Benzenesulfonyl)phenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 71655703
2-Cyano-1-(4-(phenylsulfonyl)benzyl)-3-(pyridin-3-yl)guanidine
CID 72945734
(E)-N-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 73350708
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea (CID 66610600) is 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1cccnc1.
What is the InChIKey of 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea?
The InChIKey is SUTPKGOERYDKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-18(21-15-5-4-12-19-13-15)20-14-8-10-17(11-9-14)25(23,24)16-6-2-1-3-7-16/h1-13H,(H2,20,21,22).
What are the key properties of 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea?
1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea has a molecular weight of 353.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 66610600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).