4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride

C12H12ClF2NO3S — CID 83154456

IUPAC4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
SMILESCC(C(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F)C1CC1
InChIInChI=1S/C12H12ClF2NO3S/c1-6(7-2-3-7)12(17)16-11-9(14)4-8(5-10(11)15)20(13,18)19/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyGHDBCNSYILZOFV-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.88
Rot. Bonds4

About 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride

4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride (PubChem CID 83154456) has the molecular formula C12H12ClF2NO3S and a molecular weight of 323.75 g/mol. Its IUPAC name is 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
PubChem CID83154456
Molecular FormulaC12H12ClF2NO3S
Molecular Weight323.75 g/mol
Exact Mass323.02
IUPAC Name4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride
SMILESCC(C(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F)C1CC1
InChIInChI=1S/C12H12ClF2NO3S/c1-6(7-2-3-7)12(17)16-11-9(14)4-8(5-10(11)15)20(13,18)19/h4-7H,2-3H2,1H3,(H,16,17)
InChIKeyGHDBCNSYILZOFV-UHFFFAOYSA-N
XLogP2.88
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(2-methylpentanoylamino)benzenesulfonyl chloride
CID 43100342
3-(2-cyclopropylpropanoylamino)-4-methoxybenzenesulfonyl chloride
CID 83153776
2-cyclopropyl-N-(2-fluoro-4-hydroxyphenyl)propanamide
CID 83154239
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2-cyclopropylpropanamide
CID 83154243
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide
CID 83147686
3,5-dichloro-4-(2-methylpropanoylamino)benzenesulfonyl chloride
CID 43109589
3,5-difluoro-4-[(1-methylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43111556
4-(cyclopentylsulfonylamino)-3,5-difluorobenzenesulfonyl chloride
CID 105361039
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434
3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
CID 115704040
5-(1-cyclopropylethylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65373055

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride (CID 83154456) is 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride is CC(C(=O)Nc1c(F)cc(S(=O)(=O)Cl)cc1F)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is GHDBCNSYILZOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO3S/c1-6(7-2-3-7)12(17)16-11-9(14)4-8(5-10(11)15)20(13,18)19/h4-7H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride?
4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 323.75 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropanoylamino)-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 83154456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).