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

C15H21FN2O2S — CID 113084493

IUPACN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H21FN2O2S/c1-4-7-21(19,20)18-10-15(2,3)13-9-17-14-8-11(16)5-6-12(13)14/h5-6,8-9,17-18H,4,7,10H2,1-3H3
InChIKeyOMHBCYCKVVHGFI-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.91
Rot. Bonds6

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

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide (PubChem CID 113084493) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
PubChem CID113084493
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H21FN2O2S/c1-4-7-21(19,20)18-10-15(2,3)13-9-17-14-8-11(16)5-6-12(13)14/h5-6,8-9,17-18H,4,7,10H2,1-3H3
InChIKeyOMHBCYCKVVHGFI-UHFFFAOYSA-N
XLogP2.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
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
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
CID 113084506
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
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-methyl-N-pentylpropanamide
CID 113210360

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide (CID 113084493) is N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)(C)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
The InChIKey is OMHBCYCKVVHGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-4-7-21(19,20)18-10-15(2,3)13-9-17-14-8-11(16)5-6-12(13)14/h5-6,8-9,17-18H,4,7,10H2,1-3H3.
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide?
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.91, 6 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]propane-1-sulfonamide is sourced from PubChem (CID 113084493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).