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

C15H24ClN3O3S — CID 3087270

IUPAC1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine
SMILESC1CCNCC1.CC(C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S.C5H11N/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9;1-2-4-6-5-3-1/h3-7H,1-2H3,(H2,12,13,14);6H,1-5H2
InChIKeyLPMWNXOVOPQMHA-UHFFFAOYSA-N
MW361.90 g/mol
LogP2.50
Rot. Bonds3

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

1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine (PubChem CID 3087270) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine
PubChem CID3087270
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine
SMILESC1CCNCC1.CC(C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S.C5H11N/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9;1-2-4-6-5-3-1/h3-7H,1-2H3,(H2,12,13,14);6H,1-5H2
InChIKeyLPMWNXOVOPQMHA-UHFFFAOYSA-N
XLogP2.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine (CID 3087270) is 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine is C1CCNCC1.CC(C)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine?
The InChIKey is LPMWNXOVOPQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S.C5H11N/c1-7(2)12-10(14)13-17(15,16)9-5-3-8(11)4-6-9;1-2-4-6-5-3-1/h3-7H,1-2H3,(H2,12,13,14);6H,1-5H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine?
1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine has a molecular weight of 361.90 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-propan-2-ylurea;piperidine is sourced from PubChem (CID 3087270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).