3-(dimethylsulfamoyl)benzenesulfonyl fluoride

C8H10FNO4S2 — CID 114791207

IUPAC3-(dimethylsulfamoyl)benzenesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C8H10FNO4S2/c1-10(2)16(13,14)8-5-3-4-7(6-8)15(9,11)12/h3-6H,1-2H3
InChIKeyITYYJTZBHMVEPO-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.60
Rot. Bonds3

About 3-(dimethylsulfamoyl)benzenesulfonyl fluoride

3-(dimethylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114791207) has the molecular formula C8H10FNO4S2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114791207
Molecular FormulaC8H10FNO4S2
Molecular Weight267.30 g/mol
Exact Mass267.00
IUPAC Name3-(dimethylsulfamoyl)benzenesulfonyl fluoride
SMILESCN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C8H10FNO4S2/c1-10(2)16(13,14)8-5-3-4-7(6-8)15(9,11)12/h3-6H,1-2H3
InChIKeyITYYJTZBHMVEPO-UHFFFAOYSA-N
XLogP0.60
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
CID 67469153
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
3-ethynyl-N,N-dimethylbenzenesulfonamide
CID 129210848
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
CID 89277792
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 3-(dimethylsulfamoyl)benzenesulfonyl fluoride (CID 114791207) is 3-(dimethylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(dimethylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-(dimethylsulfamoyl)benzenesulfonyl fluoride is CN(C)S(=O)(=O)c1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is ITYYJTZBHMVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO4S2/c1-10(2)16(13,14)8-5-3-4-7(6-8)15(9,11)12/h3-6H,1-2H3.
What are the key properties of 3-(dimethylsulfamoyl)benzenesulfonyl fluoride?
3-(dimethylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 267.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114791207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).