N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide

C13H17FN2O2S — CID 113084491

IUPACN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
SMILESCC(C)(CNS(C)(=O)=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C13H17FN2O2S/c1-13(2,8-16-19(3,17)18)11-7-15-12-6-9(14)4-5-10(11)12/h4-7,15-16H,8H2,1-3H3
InChIKeyUUWDQNLJQAVQCO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide (PubChem CID 113084491) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
PubChem CID113084491
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
SMILESCC(C)(CNS(C)(=O)=O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C13H17FN2O2S/c1-13(2,8-16-19(3,17)18)11-7-15-12-6-9(14)4-5-10(11)12/h4-7,15-16H,8H2,1-3H3
InChIKeyUUWDQNLJQAVQCO-UHFFFAOYSA-N
XLogP2.13
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084493
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-6-fluoro-1H-indole
CID 113084495
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
CID 113084511
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide (CID 113084491) is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide is CC(C)(CNS(C)(=O)=O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide?
The InChIKey is UUWDQNLJQAVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-13(2,8-16-19(3,17)18)11-7-15-12-6-9(14)4-5-10(11)12/h4-7,15-16H,8H2,1-3H3.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide?
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 113084491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).