N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide

C20H19FN4O4S2 — CID 118060438

IUPACN-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1
InChIInChI=1S/C20H19FN4O4S2/c1-30(26,27)23-9-10-24-13-15(12-22-24)19-14-25(20-11-16(21)7-8-18(19)20)31(28,29)17-5-3-2-4-6-17/h2-8,11-14,23H,9-10H2,1H3
InChIKeyGVGFHZYSYRLCLL-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.43
Rot. Bonds7

About N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide

N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide (PubChem CID 118060438) has the molecular formula C20H19FN4O4S2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide
PubChem CID118060438
Molecular FormulaC20H19FN4O4S2
Molecular Weight462.53 g/mol
Exact Mass462.08
IUPAC NameN-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1
InChIInChI=1S/C20H19FN4O4S2/c1-30(26,27)23-9-10-24-13-15(12-22-24)19-14-25(20-11-16(21)7-8-18(19)20)31(28,29)17-5-3-2-4-6-17/h2-8,11-14,23H,9-10H2,1H3
InChIKeyGVGFHZYSYRLCLL-UHFFFAOYSA-N
XLogP2.43
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide (CID 118060438) is N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1.
What is the InChIKey of N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is GVGFHZYSYRLCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S2/c1-30(26,27)23-9-10-24-13-15(12-22-24)19-14-25(20-11-16(21)7-8-18(19)20)31(28,29)17-5-3-2-4-6-17/h2-8,11-14,23H,9-10H2,1H3.
What are the key properties of N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide?
N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 462.53 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]pyrazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 118060438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).