N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide

C10H14ClFN2O2S — CID 106087915

IUPACN-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H14ClFN2O2S/c1-7(6-13-2)17(15,16)14-10-4-8(11)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3
InChIKeyWPXRAJXUOCOPMG-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.83
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide

N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106087915) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106087915
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H14ClFN2O2S/c1-7(6-13-2)17(15,16)14-10-4-8(11)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3
InChIKeyWPXRAJXUOCOPMG-UHFFFAOYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
1-(methylamino)-N-(2,4,6-trichlorophenyl)propane-2-sulfonamide
CID 114136213
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
1-(methylamino)-N-(2,3,5,6-tetrafluorophenyl)propane-2-sulfonamide
CID 106087564
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
CID 106074521
N-(3-chloro-5-fluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087933
1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
CID 106070014
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087941
N-(3-chloro-5-fluorophenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106087894
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
CID 106003246
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030674

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide (CID 106087915) is N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is WPXRAJXUOCOPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-7(6-13-2)17(15,16)14-10-4-8(11)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide?
N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 280.75 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106087915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).