1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea

C14H16N4O3S — CID 53498818

IUPAC1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C14H16N4O3S/c15-22(20,21)10-12-3-1-11(2-4-12)9-17-14(19)18-13-5-7-16-8-6-13/h1-8H,9-10H2,(H2,15,20,21)(H2,16,17,18,19)
InChIKeyFCKCBSWMZQGAQA-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.19
Rot. Bonds5

About 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea

1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea (PubChem CID 53498818) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
PubChem CID53498818
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C14H16N4O3S/c15-22(20,21)10-12-3-1-11(2-4-12)9-17-14(19)18-13-5-7-16-8-6-13/h1-8H,9-10H2,(H2,15,20,21)(H2,16,17,18,19)
InChIKeyFCKCBSWMZQGAQA-UHFFFAOYSA-N
XLogP1.19
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231176
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
2-hydroxy-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61200541
1-[4-[(3-methoxyphenyl)sulfonylmethyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 157293862
1-[4-(3-iodophenyl)sulfonylphenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222928
CID 142402002
CID 142402002

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea (CID 53498818) is 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea is NS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is FCKCBSWMZQGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c15-22(20,21)10-12-3-1-11(2-4-12)9-17-14(19)18-13-5-7-16-8-6-13/h1-8H,9-10H2,(H2,15,20,21)(H2,16,17,18,19).
What are the key properties of 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea?
1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 320.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 53498818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).