1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine

C14H22ClN3O4S — CID 3087272

IUPAC1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine
SMILESC1COCCN1.CC(C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S.C4H9NO/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9;1-3-6-4-2-5-1/h3-7H,1-2H3,(H2,12,13,14);5H,1-4H2
InChIKeyDYOCSQKYOSIXAJ-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.34
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine

1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine (PubChem CID 3087272) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine
PubChem CID3087272
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine
SMILESC1COCCN1.CC(C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S.C4H9NO/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9;1-3-6-4-2-5-1/h3-7H,1-2H3,(H2,12,13,14);5H,1-4H2
InChIKeyDYOCSQKYOSIXAJ-UHFFFAOYSA-N
XLogP1.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine (CID 3087272) is 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine is C1COCCN1.CC(C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine?
The InChIKey is DYOCSQKYOSIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S.C4H9NO/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9;1-3-6-4-2-5-1/h3-7H,1-2H3,(H2,12,13,14);5H,1-4H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine?
1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine has a molecular weight of 363.87 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;morpholine is sourced from PubChem (CID 3087272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).