1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea

C17H22ClN3O4S — CID 108913571

IUPAC1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea
SMILESO=C(NC=C1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O4S/c18-15-6-5-14(26(23,24)21-7-9-25-10-8-21)11-16(15)20-17(22)19-12-13-3-1-2-4-13/h5-6,11-12H,1-4,7-10H2,(H2,19,20,22)
InChIKeyFLCKOYQPJJKOJV-UHFFFAOYSA-N
MW399.90 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea (PubChem CID 108913571) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea
PubChem CID108913571
Molecular FormulaC17H22ClN3O4S
Molecular Weight399.90 g/mol
Exact Mass399.10
IUPAC Name1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea
SMILESO=C(NC=C1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O4S/c18-15-6-5-14(26(23,24)21-7-9-25-10-8-21)11-16(15)20-17(22)19-12-13-3-1-2-4-13/h5-6,11-12H,1-4,7-10H2,(H2,19,20,22)
InChIKeyFLCKOYQPJJKOJV-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911015
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)cyclobutanecarboxamide
CID 17475932
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891884
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
CID 108791562
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 30234663
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea
CID 3541124
1-acetyl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 108792177
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide chloride
CID 42997088
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520203
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 8903917

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea?
The IUPAC name of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea (CID 108913571) is 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea.
What is the SMILES notation for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea?
The canonical SMILES for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea is O=C(NC=C1CCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea?
The InChIKey is FLCKOYQPJJKOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c18-15-6-5-14(26(23,24)21-7-9-25-10-8-21)11-16(15)20-17(22)19-12-13-3-1-2-4-13/h5-6,11-12H,1-4,7-10H2,(H2,19,20,22).
What are the key properties of 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea?
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea has a molecular weight of 399.90 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(cyclopentylidenemethyl)urea is sourced from PubChem (CID 108913571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).