1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea

C24H24ClN3O4S — CID 143404539

IUPAC1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea
SMILESCOc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H24ClN3O4S/c1-32-23-16-18(10-13-22(23)27-24(29)26-21-7-3-2-6-20(21)25)17-8-11-19(12-9-17)33(30,31)28-14-4-5-15-28/h2-3,6-13,16H,4-5,14-15H2,1H3,(H2,26,27,29)
InChIKeyLOQSCNFQSPXXBH-UHFFFAOYSA-N
MW485.99 g/mol
LogP5.44
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea

1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea (PubChem CID 143404539) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea
PubChem CID143404539
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea
SMILESCOc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C24H24ClN3O4S/c1-32-23-16-18(10-13-22(23)27-24(29)26-21-7-3-2-6-20(21)25)17-8-11-19(12-9-17)33(30,31)28-14-4-5-15-28/h2-3,6-13,16H,4-5,14-15H2,1H3,(H2,26,27,29)
InChIKeyLOQSCNFQSPXXBH-UHFFFAOYSA-N
XLogP5.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.99
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1456855
(3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156324
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 3902982
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
1-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680447
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 126397672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea (CID 143404539) is 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea is COc1cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea?
The InChIKey is LOQSCNFQSPXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-32-23-16-18(10-13-22(23)27-24(29)26-21-7-3-2-6-20(21)25)17-8-11-19(12-9-17)33(30,31)28-14-4-5-15-28/h2-3,6-13,16H,4-5,14-15H2,1H3,(H2,26,27,29).
What are the key properties of 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea?
1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea has a molecular weight of 485.99 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-methoxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)phenyl]urea is sourced from PubChem (CID 143404539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).