1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide

C16H20ClNO3S — CID 3406656

IUPAC1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO3S/c17-12-6-8-14(9-7-12)22(20,21)16(10-11-16)15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,19)
InChIKeyCOYNWRPNLHBIDC-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide (PubChem CID 3406656) has the molecular formula C16H20ClNO3S and a molecular weight of 341.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide
PubChem CID3406656
Molecular FormulaC16H20ClNO3S
Molecular Weight341.86 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClNO3S/c17-12-6-8-14(9-7-12)22(20,21)16(10-11-16)15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,19)
InChIKeyCOYNWRPNLHBIDC-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide (CID 3406656) is 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide is O=C(NC1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide?
The InChIKey is COYNWRPNLHBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S/c17-12-6-8-14(9-7-12)22(20,21)16(10-11-16)15(19)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-cyclohexylcyclopropane-1-carboxamide is sourced from PubChem (CID 3406656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).