4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide

C11H12ClF2NO4S — CID 103769758

IUPAC4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCC(O)C(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF2NO4S/c1-20(18,19)9-4-6(2-3-7(9)12)11(17)15-5-8(16)10(13)14/h2-4,8,10,16H,5H2,1H3,(H,15,17)
InChIKeyVUMBZBTUCUUDGC-UHFFFAOYSA-N
MW327.74 g/mol
LogP1.10
Rot. Bonds5

About 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide

4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide (PubChem CID 103769758) has the molecular formula C11H12ClF2NO4S and a molecular weight of 327.74 g/mol. Its IUPAC name is 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
PubChem CID103769758
Molecular FormulaC11H12ClF2NO4S
Molecular Weight327.74 g/mol
Exact Mass327.01
IUPAC Name4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)NCC(O)C(F)F)ccc1Cl
InChIInChI=1S/C11H12ClF2NO4S/c1-20(18,19)9-4-6(2-3-7(9)12)11(17)15-5-8(16)10(13)14/h2-4,8,10,16H,5H2,1H3,(H,15,17)
InChIKeyVUMBZBTUCUUDGC-UHFFFAOYSA-N
XLogP1.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
CID 83059203
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
CID 43500892
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
4-chloro-N-(2-methylpropoxy)-3-methylsulfonylbenzamide
CID 115409695
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81342910
4-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylsulfonylbenzamide
CID 26678437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide (CID 103769758) is 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)NCC(O)C(F)F)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide?
The InChIKey is VUMBZBTUCUUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO4S/c1-20(18,19)9-4-6(2-3-7(9)12)11(17)15-5-8(16)10(13)14/h2-4,8,10,16H,5H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide?
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide has a molecular weight of 327.74 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 103769758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).