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

C15H18ClNO3S — CID 3377219

IUPAC1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO3S/c16-11-5-7-13(8-6-11)21(19,20)15(9-10-15)14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyWTSHHFWAAGLZJD-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.71
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide (PubChem CID 3377219) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide
PubChem CID3377219
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO3S/c16-11-5-7-13(8-6-11)21(19,20)15(9-10-15)14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyWTSHHFWAAGLZJD-UHFFFAOYSA-N
XLogP2.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.71
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-cyclopentylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide (CID 3377219) is 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide is O=C(NC1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide?
The InChIKey is WTSHHFWAAGLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c16-11-5-7-13(8-6-11)21(19,20)15(9-10-15)14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-cyclopentylcyclopropane-1-carboxamide has a molecular weight of 327.83 g/mol, XLogP of 2.71, 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-cyclopentylcyclopropane-1-carboxamide is sourced from PubChem (CID 3377219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).