2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride

C12H14ClF2NO3S — CID 65371674

IUPAC2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)CN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C12H14ClF2NO3S/c1-7(2)6-16(3)12(17)8-4-11(20(13,18)19)10(15)5-9(8)14/h4-5,7H,6H2,1-3H3
InChIKeyFVKQMQNZGPXBRG-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.62
Rot. Bonds4

About 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride

2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65371674) has the molecular formula C12H14ClF2NO3S and a molecular weight of 325.76 g/mol. Its IUPAC name is 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65371674
Molecular FormulaC12H14ClF2NO3S
Molecular Weight325.76 g/mol
Exact Mass325.04
IUPAC Name2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)CN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C12H14ClF2NO3S/c1-7(2)6-16(3)12(17)8-4-11(20(13,18)19)10(15)5-9(8)14/h4-5,7H,6H2,1-3H3
InChIKeyFVKQMQNZGPXBRG-UHFFFAOYSA-N
XLogP2.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
2,4-difluoro-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 65398593
4-chloro-3-fluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81454555
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
CID 65375226
3,4-dichloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372826

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride (CID 65371674) is 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride is CC(C)CN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is FVKQMQNZGPXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO3S/c1-7(2)6-16(3)12(17)8-4-11(20(13,18)19)10(15)5-9(8)14/h4-5,7H,6H2,1-3H3.
What are the key properties of 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 325.76 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65371674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).