1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea

C14H15N3O3S — CID 4062849

IUPAC1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-3-6-12(7-4-10)21(19,20)17-14(18)16-13-8-5-11(2)9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyMVIXZSZPLOYOOD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea

1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea (PubChem CID 4062849) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
PubChem CID4062849
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-3-6-12(7-4-10)21(19,20)17-14(18)16-13-8-5-11(2)9-15-13/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyMVIXZSZPLOYOOD-UHFFFAOYSA-N
XLogP2.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Acetylsulfapyridine
CID 58638
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
1-Guanidino-7-sulphamoylisoquinoline
CID 16658352
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea (CID 4062849) is 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(C)cn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is MVIXZSZPLOYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-3-6-12(7-4-10)21(19,20)17-14(18)16-13-8-5-11(2)9-15-13/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea?
1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 305.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 4062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).