5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide

C11H13ClF2N2O3S — CID 79585482

IUPAC5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide
SMILESCC(CCl)CS(=O)(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C11H13ClF2N2O3S/c1-6(4-12)5-20(18,19)16-10-2-7(11(15)17)8(13)3-9(10)14/h2-3,6,16H,4-5H2,1H3,(H2,15,17)
InChIKeyXOQYGAWOJOESPW-UHFFFAOYSA-N
MW326.75 g/mol
LogP1.68
Rot. Bonds6

About 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide

5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide (PubChem CID 79585482) has the molecular formula C11H13ClF2N2O3S and a molecular weight of 326.75 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide
PubChem CID79585482
Molecular FormulaC11H13ClF2N2O3S
Molecular Weight326.75 g/mol
Exact Mass326.03
IUPAC Name5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide
SMILESCC(CCl)CS(=O)(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C11H13ClF2N2O3S/c1-6(4-12)5-20(18,19)16-10-2-7(11(15)17)8(13)3-9(10)14/h2-3,6,16H,4-5H2,1H3,(H2,15,17)
InChIKeyXOQYGAWOJOESPW-UHFFFAOYSA-N
XLogP1.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
methyl 2-[(3-chloro-2-methylpropyl)sulfonylamino]-5-fluorobenzoate
CID 79585945
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
CID 79556557
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
5-(2-chloroethylsulfonylamino)-2,4-difluorobenzoic acid
CID 107651242
3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
CID 79771397
2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide
CID 56573264
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
3-amino-4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 64897236
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
methyl 5-(3-chloropropylsulfonylamino)-2,4-difluorobenzoate
CID 43654285

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide (CID 79585482) is 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide is CC(CCl)CS(=O)(=O)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide?
The InChIKey is XOQYGAWOJOESPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O3S/c1-6(4-12)5-20(18,19)16-10-2-7(11(15)17)8(13)3-9(10)14/h2-3,6,16H,4-5H2,1H3,(H2,15,17).
What are the key properties of 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide?
5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide has a molecular weight of 326.75 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 79585482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).