N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide

C11H17FN2O2S — CID 106018428

IUPACN-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cccc(F)c1C
InChIInChI=1S/C11H17FN2O2S/c1-8(7-13-3)17(15,16)14-11-6-4-5-10(12)9(11)2/h4-6,8,13-14H,7H2,1-3H3
InChIKeyWWRHSYIAUPNTSE-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.48
Rot. Bonds5

About N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide

N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106018428) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106018428
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1cccc(F)c1C
InChIInChI=1S/C11H17FN2O2S/c1-8(7-13-3)17(15,16)14-11-6-4-5-10(12)9(11)2/h4-6,8,13-14H,7H2,1-3H3
InChIKeyWWRHSYIAUPNTSE-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 107447139
N-(2,3-difluorophenyl)-1-(propylamino)propane-2-sulfonamide
CID 106017484
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-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305047
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
N-(3-fluoro-2-methylphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106018387
N-(3-fluoro-2-methylphenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106018448
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
1-(ethylamino)-N-(2,3,4-trifluorophenyl)propane-2-sulfonamide
CID 106058008

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide (CID 106018428) is N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1cccc(F)c1C.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is WWRHSYIAUPNTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8(7-13-3)17(15,16)14-11-6-4-5-10(12)9(11)2/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106018428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).