2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride

C10H7Cl2F4NO3S — CID 65372490

IUPAC2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F
InChIInChI=1S/C10H7Cl2F4NO3S/c1-17(4-10(14,15)16)9(18)5-2-8(21(12,19)20)6(11)3-7(5)13/h2-3H,4H2,1H3
InChIKeyRLZHKPDSMVWSIK-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride

2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372490) has the molecular formula C10H7Cl2F4NO3S and a molecular weight of 368.14 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372490
Molecular FormulaC10H7Cl2F4NO3S
Molecular Weight368.14 g/mol
Exact Mass366.95
IUPAC Name2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F
InChIInChI=1S/C10H7Cl2F4NO3S/c1-17(4-10(14,15)16)9(18)5-2-8(21(12,19)20)6(11)3-7(5)13/h2-3H,4H2,1H3
InChIKeyRLZHKPDSMVWSIK-UHFFFAOYSA-N
XLogP3.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371150
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090
tert-butyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65397316
2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675286
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
3,3-dimethylbutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 66225109
4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65371948
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride (CID 65372490) is 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride is CN(CC(F)(F)F)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is RLZHKPDSMVWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F4NO3S/c1-17(4-10(14,15)16)9(18)5-2-8(21(12,19)20)6(11)3-7(5)13/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride?
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 368.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).