2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

C11H9Cl2F2NO3S — CID 65397980

IUPAC2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(F)c(F)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H9Cl2F2NO3S/c1-4-2-7(4)16-11(17)5-3-6(14)9(15)10(8(5)12)20(13,18)19/h3-4,7H,2H2,1H3,(H,16,17)
InChIKeyKHGWUZJRPFZRRD-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride

2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65397980) has the molecular formula C11H9Cl2F2NO3S and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65397980
Molecular FormulaC11H9Cl2F2NO3S
Molecular Weight344.17 g/mol
Exact Mass342.96
IUPAC Name2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1CC1NC(=O)c1cc(F)c(F)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C11H9Cl2F2NO3S/c1-4-2-7(4)16-11(17)5-3-6(14)9(15)10(8(5)12)20(13,18)19/h3-4,7H,2H2,1H3,(H,16,17)
InChIKeyKHGWUZJRPFZRRD-UHFFFAOYSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(ethylcarbamoyl)-5,6-difluorobenzenesulfonyl chloride
CID 65367815
2-chloro-5,6-difluoro-3-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367799
2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65396064
2-chloro-3-[cyclopropylmethyl(methyl)carbamoyl]-5,6-difluorobenzenesulfonyl chloride
CID 65370781
2,3-difluoro-N-(2-methylcyclopropyl)benzamide
CID 62661294
2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
CID 62398884
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382
1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 65367382
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531
5-bromo-2-chloro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride (CID 65397980) is 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is CC1CC1NC(=O)c1cc(F)c(F)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is KHGWUZJRPFZRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F2NO3S/c1-4-2-7(4)16-11(17)5-3-6(14)9(15)10(8(5)12)20(13,18)19/h3-4,7H,2H2,1H3,(H,16,17).
What are the key properties of 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 344.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-difluoro-3-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65397980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).