1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea

C12H17N3O3S — CID 23275206

IUPAC1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NN2CCCC2)cc1
InChIInChI=1S/C12H17N3O3S/c1-10-4-6-11(7-5-10)19(17,18)14-12(16)13-15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3,(H2,13,14,16)
InChIKeyFNZFNJLOBQTUMH-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.99
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea

1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea (PubChem CID 23275206) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
PubChem CID23275206
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NN2CCCC2)cc1
InChIInChI=1S/C12H17N3O3S/c1-10-4-6-11(7-5-10)19(17,18)14-12(16)13-15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3,(H2,13,14,16)
InChIKeyFNZFNJLOBQTUMH-UHFFFAOYSA-N
XLogP0.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea;1-butyl-3-(4-methylphenyl)sulfonylurea
CID 66869930
1-(azepan-1-yl)-3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]sulfonylurea
CID 71752604
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
1-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(4-methylphenyl)sulfonylurea;butanedioic acid
CID 139201721
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-1-[(4-methylphenyl)sulfonylcarbamoylamino]piperidine-3-carboxamide
CID 101074421
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea (CID 23275206) is 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea is Cc1ccc(S(=O)(=O)NC(=O)NN2CCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea?
The InChIKey is FNZFNJLOBQTUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-10-4-6-11(7-5-10)19(17,18)14-12(16)13-15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea?
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea has a molecular weight of 283.35 g/mol, XLogP of 0.99, 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-pyrrolidin-1-ylurea is sourced from PubChem (CID 23275206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).