2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide

C9H10Cl2N2O3S2 — CID 71981736

IUPAC2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C9H10Cl2N2O3S2/c1-4-8(17-5(2)12-4)18(15,16)13-7(14)6-3-9(6,10)11/h6H,3H2,1-2H3,(H,13,14)
InChIKeyYWCVWYSXOIWTAY-UHFFFAOYSA-N
MW329.23 g/mol
LogP1.76
Rot. Bonds3

About 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 71981736) has the molecular formula C9H10Cl2N2O3S2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID71981736
Molecular FormulaC9H10Cl2N2O3S2
Molecular Weight329.23 g/mol
Exact Mass327.95
IUPAC Name2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C2CC2(Cl)Cl)s1
InChIInChI=1S/C9H10Cl2N2O3S2/c1-4-8(17-5(2)12-4)18(15,16)13-7(14)6-3-9(6,10)11/h6H,3H2,1-2H3,(H,13,14)
InChIKeyYWCVWYSXOIWTAY-UHFFFAOYSA-N
XLogP1.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide (CID 71981736) is 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide is Cc1nc(C)c(S(=O)(=O)NC(=O)C2CC2(Cl)Cl)s1.
What is the InChIKey of 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is YWCVWYSXOIWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3S2/c1-4-8(17-5(2)12-4)18(15,16)13-7(14)6-3-9(6,10)11/h6H,3H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71981736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).