1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C15H14ClNO3S2 — CID 4101212

IUPAC1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H14ClNO3S2/c16-11-3-5-13(6-4-11)22(19,20)15(7-8-15)14(18)17-10-12-2-1-9-21-12/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyIWFOLDKGTRTBLT-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 4101212) has the molecular formula C15H14ClNO3S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID4101212
Molecular FormulaC15H14ClNO3S2
Molecular Weight355.87 g/mol
Exact Mass355.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H14ClNO3S2/c16-11-3-5-13(6-4-11)22(19,20)15(7-8-15)14(18)17-10-12-2-1-9-21-12/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyIWFOLDKGTRTBLT-UHFFFAOYSA-N
XLogP3.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.02
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-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 4101212) is 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is IWFOLDKGTRTBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S2/c16-11-3-5-13(6-4-11)22(19,20)15(7-8-15)14(18)17-10-12-2-1-9-21-12/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 3.02, 5 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-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 4101212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).