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

C19H20F2N2O2S — CID 113084506

IUPAC4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)c2c[nH]c3cc(F)ccc23)ccc1F
InChIInChI=1S/C19H20F2N2O2S/c1-12-8-14(5-7-17(12)21)26(24,25)23-11-19(2,3)16-10-22-18-9-13(20)4-6-15(16)18/h4-10,22-23H,11H2,1-3H3
InChIKeyWAJMYOTUTHAFPP-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.01
Rot. Bonds5

About 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide (PubChem CID 113084506) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
PubChem CID113084506
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)(C)c2c[nH]c3cc(F)ccc23)ccc1F
InChIInChI=1S/C19H20F2N2O2S/c1-12-8-14(5-7-17(12)21)26(24,25)23-11-19(2,3)16-10-22-18-9-13(20)4-6-15(16)18/h4-10,22-23H,11H2,1-3H3
InChIKeyWAJMYOTUTHAFPP-UHFFFAOYSA-N
XLogP4.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-1,3-benzodioxole-5-sulfonamide
CID 113084511
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]methanesulfonamide
CID 113084491
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
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-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]cyclobutanecarboxamide
CID 113084487
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide (CID 113084506) is 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)(C)c2c[nH]c3cc(F)ccc23)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide?
The InChIKey is WAJMYOTUTHAFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-12-8-14(5-7-17(12)21)26(24,25)23-11-19(2,3)16-10-22-18-9-13(20)4-6-15(16)18/h4-10,22-23H,11H2,1-3H3.
What are the key properties of 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide has a molecular weight of 378.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113084506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).