4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide

C21H20FN3O2S — CID 113036671

IUPAC4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3c4ccccc4CC3C)cn2)ccc1F
InChIInChI=1S/C21H20FN3O2S/c1-14-11-18(8-9-19(14)22)28(26,27)24-21-10-7-17(13-23-21)25-15(2)12-16-5-3-4-6-20(16)25/h3-11,13,15H,12H2,1-2H3,(H,23,24)
InChIKeyUHEDQWCKBCIMRN-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.41
Rot. Bonds4

About 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide

4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113036671) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113036671
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3c4ccccc4CC3C)cn2)ccc1F
InChIInChI=1S/C21H20FN3O2S/c1-14-11-18(8-9-19(14)22)28(26,27)24-21-10-7-17(13-23-21)25-15(2)12-16-5-3-4-6-20(16)25/h3-11,13,15H,12H2,1-2H3,(H,23,24)
InChIKeyUHEDQWCKBCIMRN-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]thiophene-2-sulfonamide
CID 113036673
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 133189855
4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113031845
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
2-methoxy-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzamide
CID 113036618
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide (CID 113036671) is 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3c4ccccc4CC3C)cn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is UHEDQWCKBCIMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-14-11-18(8-9-19(14)22)28(26,27)24-21-10-7-17(13-23-21)25-15(2)12-16-5-3-4-6-20(16)25/h3-11,13,15H,12H2,1-2H3,(H,23,24).
What are the key properties of 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113036671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).