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

C14H16N4O3S — CID 108875244

IUPAC1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)18-13-4-2-12(3-5-13)17-14(19)16-10-11-6-8-15-9-7-11/h2-9,18H,10H2,1H3,(H2,16,17,19)
InChIKeyRKOBTGKFLIWSMV-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.77
Rot. Bonds5

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

1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 108875244) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID108875244
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C14H16N4O3S/c1-22(20,21)18-13-4-2-12(3-5-13)17-14(19)16-10-11-6-8-15-9-7-11/h2-9,18H,10H2,1H3,(H2,16,17,19)
InChIKeyRKOBTGKFLIWSMV-UHFFFAOYSA-N
XLogP1.77
TPSA100.19 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 ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231176
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222523
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-ethyl-4-[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 164515186
1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 53498818
1-[6-(methylamino)naphthalen-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 21454522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea (CID 108875244) is 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea is CS(=O)(=O)Nc1ccc(NC(=O)NCc2ccncc2)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is RKOBTGKFLIWSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-22(20,21)18-13-4-2-12(3-5-13)17-14(19)16-10-11-6-8-15-9-7-11/h2-9,18H,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 320.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 108875244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).