1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C13H11ClN2O3S2 — CID 3238197

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H11ClN2O3S2/c14-9-1-3-10(4-2-9)21(18,19)13(5-6-13)11(17)16-12-15-7-8-20-12/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyYYFWSLAOKLGGFW-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 3238197) has the molecular formula C13H11ClN2O3S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID3238197
Molecular FormulaC13H11ClN2O3S2
Molecular Weight342.83 g/mol
Exact Mass341.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H11ClN2O3S2/c14-9-1-3-10(4-2-9)21(18,19)13(5-6-13)11(17)16-12-15-7-8-20-12/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyYYFWSLAOKLGGFW-UHFFFAOYSA-N
XLogP2.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 3238197) is 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is YYFWSLAOKLGGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S2/c14-9-1-3-10(4-2-9)21(18,19)13(5-6-13)11(17)16-12-15-7-8-20-12/h1-4,7-8H,5-6H2,(H,15,16,17).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3238197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).