N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C17H17FN2O2S — CID 174489222

IUPACN-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)N(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-13(11-14-12-19-17-10-6-5-9-16(14)17)20(18)23(21,22)15-7-3-2-4-8-15/h2-10,12-13,19H,11H2,1H3
InChIKeyNHVQWMZJLRXIJT-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.67
Rot. Bonds5

About N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 174489222) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID174489222
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)N(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-13(11-14-12-19-17-10-6-5-9-16(14)17)20(18)23(21,22)15-7-3-2-4-8-15/h2-10,12-13,19H,11H2,1H3
InChIKeyNHVQWMZJLRXIJT-UHFFFAOYSA-N
XLogP3.67
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734
3-(2-fluoropropyl)-1H-indole
CID 142409179
2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 119201528
(2R)-2-ethylsulfanyl-3-(1H-indol-3-yl)propanoic acid
CID 163253670
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
CID 23623089
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;methanesulfonic acid
CID 121440286
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 174489222) is N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)N(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is NHVQWMZJLRXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-13(11-14-12-19-17-10-6-5-9-16(14)17)20(18)23(21,22)15-7-3-2-4-8-15/h2-10,12-13,19H,11H2,1H3.
What are the key properties of N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 332.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 174489222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).