1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide

C22H26ClN3O3S — CID 5308683

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O3S/c23-18-6-8-20(9-7-18)30(28,29)22(10-11-22)21(27)24-12-13-25-14-16-26(17-15-25)19-4-2-1-3-5-19/h1-9H,10-17H2,(H,24,27)
InChIKeyCVZWMJQQIQCLOR-UHFFFAOYSA-N
MW447.99 g/mol
LogP2.58
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 5308683) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID5308683
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O3S/c23-18-6-8-20(9-7-18)30(28,29)22(10-11-22)21(27)24-12-13-25-14-16-26(17-15-25)19-4-2-1-3-5-19/h1-9H,10-17H2,(H,24,27)
InChIKeyCVZWMJQQIQCLOR-UHFFFAOYSA-N
XLogP2.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide (CID 5308683) is 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is CVZWMJQQIQCLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c23-18-6-8-20(9-7-18)30(28,29)22(10-11-22)21(27)24-12-13-25-14-16-26(17-15-25)19-4-2-1-3-5-19/h1-9H,10-17H2,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 447.99 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 5308683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).