N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide

C11H17FN2O2S — CID 107447139

IUPACN-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-8-4-5-10(6-11(8)12)14-17(15,16)9(2)7-13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyAYLJLFIREMWGQE-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.48
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide

N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 107447139) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID107447139
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C11H17FN2O2S/c1-8-4-5-10(6-11(8)12)14-17(15,16)9(2)7-13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyAYLJLFIREMWGQE-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-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-(3,4-difluorophenyl)-1-(ethylamino)propane-2-sulfonamide
CID 114141175
1-(methylamino)-N-(2,3,5,6-tetrafluorophenyl)propane-2-sulfonamide
CID 106087564
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
CID 106003246
N-(3-chloro-5-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106087915
N-(3-fluoro-2-methylphenyl)-1-(methylamino)propane-2-sulfonamide
CID 106018428
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
1-(methylamino)-N-thiophen-3-ylpropane-2-sulfonamide
CID 106070014
N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
N-[3-(dimethylamino)-4-methylphenyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106073981
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide (CID 107447139) is N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is AYLJLFIREMWGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8-4-5-10(6-11(8)12)14-17(15,16)9(2)7-13-3/h4-6,9,13-14H,7H2,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide?
N-(3-fluoro-4-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-4-methylphenyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 107447139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).