[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone

C14H17ClN2O3S — CID 4807210

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O3S/c15-12-3-5-13(6-4-12)21(19,20)17-9-7-16(8-10-17)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyNDGJQVSJFLPIKZ-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.58
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone (PubChem CID 4807210) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
PubChem CID4807210
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H17ClN2O3S/c15-12-3-5-13(6-4-12)21(19,20)17-9-7-16(8-10-17)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyNDGJQVSJFLPIKZ-UHFFFAOYSA-N
XLogP1.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone (CID 4807210) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
The InChIKey is NDGJQVSJFLPIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c15-12-3-5-13(6-4-12)21(19,20)17-9-7-16(8-10-17)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone has a molecular weight of 328.82 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 4807210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).