4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide

C25H30FN3O3S — CID 122443206

IUPAC4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
SMILESCC(C)CC(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H30FN3O3S/c1-17(2)14-25(30)29-12-10-18(11-13-29)23-16-28(3)24-9-6-20(15-22(23)24)27-33(31,32)21-7-4-19(26)5-8-21/h4-9,15-18,27H,10-14H2,1-3H3
InChIKeyZJRDZYYUVWYEJK-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.87
Rot. Bonds6

About 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide

4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide (PubChem CID 122443206) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
PubChem CID122443206
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide
SMILESCC(C)CC(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H30FN3O3S/c1-17(2)14-25(30)29-12-10-18(11-13-29)23-16-28(3)24-9-6-20(15-22(23)24)27-33(31,32)21-7-4-19(26)5-8-21/h4-9,15-18,27H,10-14H2,1-3H3
InChIKeyZJRDZYYUVWYEJK-UHFFFAOYSA-N
XLogP4.87
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide (CID 122443206) is 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide is CC(C)CC(=O)N1CCC(c2cn(C)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
The InChIKey is ZJRDZYYUVWYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c1-17(2)14-25(30)29-12-10-18(11-13-29)23-16-28(3)24-9-6-20(15-22(23)24)27-33(31,32)21-7-4-19(26)5-8-21/h4-9,15-18,27H,10-14H2,1-3H3.
What are the key properties of 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide?
4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide has a molecular weight of 471.60 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 122443206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).