N-(5-chloro-2-fluorophenyl)methanesulfonamide

C7H7ClFNO2S — CID 60640583

IUPACN-(5-chloro-2-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C7H7ClFNO2S/c1-13(11,12)10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKeyMHGNUSLNRAUPCD-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.85
Rot. Bonds2

About N-(5-chloro-2-fluorophenyl)methanesulfonamide

N-(5-chloro-2-fluorophenyl)methanesulfonamide (PubChem CID 60640583) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)methanesulfonamide
PubChem CID60640583
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC NameN-(5-chloro-2-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C7H7ClFNO2S/c1-13(11,12)10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKeyMHGNUSLNRAUPCD-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-4-fluoroaniline
CID 9708
N-(4-Chlorophenyl)methanesulfonamide
CID 706838
N-(2-Fluorophenyl)methanesulfonamide
CID 669015
N-(3-chlorophenyl)methanesulfonamide
CID 849123
3-Chloro-2-fluoroaniline
CID 75014
Methanesulfonamide, N-(4-chlorophenyl)-1,1,1-trifluoro-
CID 90083
N-(2-Chlorophenyl)methanesulfonamide
CID 824878
N-(4-chlorophenyl)aminosulfonamide
CID 11321711
Methanesulfonamide, N-(2,4-dichlorophenyl)-1,1,1-trifluoro-
CID 90082
N-(2,4-dichlorophenyl)methanesulfonamide
CID 669023
N-(3-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 13118592
5-Chloro-2-fluoroaniline
CID 75015

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)methanesulfonamide (CID 60640583) is N-(5-chloro-2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)methanesulfonamide?
The InChIKey is MHGNUSLNRAUPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-13(11,12)10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3.
What are the key properties of N-(5-chloro-2-fluorophenyl)methanesulfonamide?
N-(5-chloro-2-fluorophenyl)methanesulfonamide has a molecular weight of 223.66 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 60640583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).