3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride

C11H15ClFNO4S2 — CID 155511172

IUPAC3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(CCCS(=O)(=O)F)ccc1Cl
InChIInChI=1S/C11H15ClFNO4S2/c1-14(2)20(17,18)11-8-9(5-6-10(11)12)4-3-7-19(13,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKIZQMEKABNCUBH-UHFFFAOYSA-N
MW343.83 g/mol
LogP1.82
Rot. Bonds6

About 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride

3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride (PubChem CID 155511172) has the molecular formula C11H15ClFNO4S2 and a molecular weight of 343.83 g/mol. Its IUPAC name is 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride
PubChem CID155511172
Molecular FormulaC11H15ClFNO4S2
Molecular Weight343.83 g/mol
Exact Mass343.01
IUPAC Name3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cc(CCCS(=O)(=O)F)ccc1Cl
InChIInChI=1S/C11H15ClFNO4S2/c1-14(2)20(17,18)11-8-9(5-6-10(11)12)4-3-7-19(13,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKIZQMEKABNCUBH-UHFFFAOYSA-N
XLogP1.82
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-Chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride
CID 155556475
4-Chloro-m-toluenesulfonamide
CID 222557
2-chloro-N-methyl-5-(trifluoromethyl)benzene-1-sulfonamide
CID 738768
(E)-2-[4-chloro-3-(dimethylsulfamoyl)phenyl]ethenesulfonyl fluoride
CID 155517269
2-[4-Chloro-3-(dimethylsulfamoyl)phenyl]ethanesulfonyl fluoride
CID 155553666
Benzenesulfonyl chloride, 2-chloro-5-propyl-
CID 112756557
2-Chloro-5-methylbenzenesulfonyl fluoride
CID 290572
2-Chloro-N,N-dimethyl-5-trifluoromethyl-benzenesulfonamide
CID 60639860
4-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylthiomorpholine
CID 3419771
2-chloro-N,N-bis(prop-2-enyl)-5-(trifluoromethyl)benzenesulfonamide
CID 52444909
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-ethylsulfonylpiperazine
CID 52464304
N-butan-2-yl-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 60264120

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride?
The IUPAC name of 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride (CID 155511172) is 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride?
The canonical SMILES for 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride is CN(C)S(=O)(=O)c1cc(CCCS(=O)(=O)F)ccc1Cl.
What is the InChIKey of 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride?
The InChIKey is KIZQMEKABNCUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO4S2/c1-14(2)20(17,18)11-8-9(5-6-10(11)12)4-3-7-19(13,15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride?
3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride has a molecular weight of 343.83 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride is sourced from PubChem (CID 155511172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).