1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide

C16H14ClNO3S — CID 2305810

IUPAC1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H14ClNO3S/c17-12-6-8-13(9-7-12)18-15(19)16(10-11-16)22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyCJNYMILCKPCIIS-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.29
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide

1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 2305810) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID2305810
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H14ClNO3S/c17-12-6-8-13(9-7-12)18-15(19)16(10-11-16)22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyCJNYMILCKPCIIS-UHFFFAOYSA-N
XLogP3.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 2305810) is 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is CJNYMILCKPCIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c17-12-6-8-13(9-7-12)18-15(19)16(10-11-16)22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19).
What are the key properties of 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide?
1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 335.81 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2305810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).