N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride

C9H11ClFNO2S — CID 154879465

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride
SMILESCC(c1cccc(Cl)c1)N(C)S(=O)(=O)F
InChIInChI=1S/C9H11ClFNO2S/c1-7(12(2)15(11,13)14)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChIKeyROQUQAKCAPZMNW-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride

N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride (PubChem CID 154879465) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride
PubChem CID154879465
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride
SMILESCC(c1cccc(Cl)c1)N(C)S(=O)(=O)F
InChIInChI=1S/C9H11ClFNO2S/c1-7(12(2)15(11,13)14)8-4-3-5-9(10)6-8/h3-7H,1-2H3
InChIKeyROQUQAKCAPZMNW-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62983881
N-[1-(3-chlorophenyl)ethyl]-N-methylpiperazine-1-sulfonamide
CID 61252386
4-[1-(3-chlorophenyl)ethyl-methylsulfamoyl]butanoic acid
CID 61042054
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
CID 47057115
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
3-[1-[methyl(propan-2-yl)amino]ethyl]benzenesulfonyl fluoride
CID 176568110
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62985460

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride (CID 154879465) is N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride is CC(c1cccc(Cl)c1)N(C)S(=O)(=O)F.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride?
The InChIKey is ROQUQAKCAPZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-7(12(2)15(11,13)14)8-4-3-5-9(10)6-8/h3-7H,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride?
N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride has a molecular weight of 251.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride is sourced from PubChem (CID 154879465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).