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

C18H25ClN2O3S — CID 22429149

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O3S/c1-14-4-2-3-12-21(14)13-11-20-17(22)18(9-10-18)25(23,24)16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyCGMXTDNKJKPHSG-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.64
Rot. Bonds6

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

1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 22429149) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID22429149
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O3S/c1-14-4-2-3-12-21(14)13-11-20-17(22)18(9-10-18)25(23,24)16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyCGMXTDNKJKPHSG-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide (CID 22429149) is 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide is CC1CCCCN1CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is CGMXTDNKJKPHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-14-4-2-3-12-21(14)13-11-20-17(22)18(9-10-18)25(23,24)16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 22429149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).