3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one

C17H21ClN2O4S — CID 17418316

IUPAC3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H21ClN2O4S/c18-14-3-5-15(6-4-14)25(23,24)12-7-16(21)19-8-10-20(11-9-19)17(22)13-1-2-13/h3-6,13H,1-2,7-12H2
InChIKeyRXPOOVCPCXZKTH-UHFFFAOYSA-N
MW384.89 g/mol
LogP1.58
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one (PubChem CID 17418316) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
PubChem CID17418316
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H21ClN2O4S/c18-14-3-5-15(6-4-14)25(23,24)12-7-16(21)19-8-10-20(11-9-19)17(22)13-1-2-13/h3-6,13H,1-2,7-12H2
InChIKeyRXPOOVCPCXZKTH-UHFFFAOYSA-N
XLogP1.58
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one (CID 17418316) is 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is RXPOOVCPCXZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c18-14-3-5-15(6-4-14)25(23,24)12-7-16(21)19-8-10-20(11-9-19)17(22)13-1-2-13/h3-6,13H,1-2,7-12H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 384.89 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17418316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).