(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide

C11H10Cl2FNO3S — CID 95971121

IUPAC(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC2(Cl)Cl)c(F)c1
InChIInChI=1S/C11H10Cl2FNO3S/c1-6-2-3-9(8(14)4-6)19(17,18)15-10(16)7-5-11(7,12)13/h2-4,7H,5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeySACIEEZGIBZPJW-ZETCQYMHSA-N
MW326.18 g/mol
LogP2.13
Rot. Bonds3

About (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 95971121) has the molecular formula C11H10Cl2FNO3S and a molecular weight of 326.18 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID95971121
Molecular FormulaC11H10Cl2FNO3S
Molecular Weight326.18 g/mol
Exact Mass324.97
IUPAC Name(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC2(Cl)Cl)c(F)c1
InChIInChI=1S/C11H10Cl2FNO3S/c1-6-2-3-9(8(14)4-6)19(17,18)15-10(16)7-5-11(7,12)13/h2-4,7H,5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeySACIEEZGIBZPJW-ZETCQYMHSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide (CID 95971121) is (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC2(Cl)Cl)c(F)c1.
What is the InChIKey of (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is SACIEEZGIBZPJW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10Cl2FNO3S/c1-6-2-3-9(8(14)4-6)19(17,18)15-10(16)7-5-11(7,12)13/h2-4,7H,5H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 95971121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).