1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea

C25H26Cl2N4O4S — CID 86273592

IUPAC1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(C(=O)Nc3ccccc3Cl)c3cccc(C)n3)CC2)cc1Cl
InChIInChI=1S/C25H26Cl2N4O4S/c1-17-6-5-9-24(28-17)31(25(32)29-22-8-4-3-7-20(22)26)18-12-14-30(15-13-18)36(33,34)19-10-11-23(35-2)21(27)16-19/h3-11,16,18H,12-15H2,1-2H3,(H,29,32)
InChIKeyJARBEUKPULSYOO-UHFFFAOYSA-N
MW549.48 g/mol
LogP5.60
Rot. Bonds6

About 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea

1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea (PubChem CID 86273592) has the molecular formula C25H26Cl2N4O4S and a molecular weight of 549.48 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea
PubChem CID86273592
Molecular FormulaC25H26Cl2N4O4S
Molecular Weight549.48 g/mol
Exact Mass548.11
IUPAC Name1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea
SMILESCOc1ccc(S(=O)(=O)N2CCC(N(C(=O)Nc3ccccc3Cl)c3cccc(C)n3)CC2)cc1Cl
InChIInChI=1S/C25H26Cl2N4O4S/c1-17-6-5-9-24(28-17)31(25(32)29-22-8-4-3-7-20(22)26)18-12-14-30(15-13-18)36(33,34)19-10-11-23(35-2)21(27)16-19/h3-11,16,18H,12-15H2,1-2H3,(H,29,32)
InChIKeyJARBEUKPULSYOO-UHFFFAOYSA-N
XLogP5.60
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.48
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea with MolForge

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Related Compounds

1-[1-[3-chloro-4-[[4-chloro-3-[[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-pyridin-2-ylcarbamoyl]amino]phenyl]methoxy]phenyl]sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea
CID 123629786
2-chloro-N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 86274074
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 86273835
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 126364089
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
3-(2-chlorophenyl)-1-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-1-pyridin-2-ylurea
CID 86273593
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43872812
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 49458559
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(5-chloro-2-phenoxyphenyl)piperidine-4-carboxamide
CID 126371819
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
N-(3-chloro-4-methoxyphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 2992364

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea (CID 86273592) is 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea is COc1ccc(S(=O)(=O)N2CCC(N(C(=O)Nc3ccccc3Cl)c3cccc(C)n3)CC2)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea?
The InChIKey is JARBEUKPULSYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O4S/c1-17-6-5-9-24(28-17)31(25(32)29-22-8-4-3-7-20(22)26)18-12-14-30(15-13-18)36(33,34)19-10-11-23(35-2)21(27)16-19/h3-11,16,18H,12-15H2,1-2H3,(H,29,32).
What are the key properties of 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea?
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea has a molecular weight of 549.48 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-(2-chlorophenyl)-1-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 86273592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).