1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide

C19H21FN4O2S — CID 163977915

IUPAC1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1
InChIInChI=1S/C19H21FN4O2S/c1-13-9-19-14(11-22-24(19)16-5-3-15(20)4-6-16)10-18(13)23-8-7-17(12-23)27(25,26)21-2/h3-6,9-11,17,21H,7-8,12H2,1-2H3
InChIKeySVUHIBQUXPEZNE-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.60
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide

1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 163977915) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID163977915
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1
InChIInChI=1S/C19H21FN4O2S/c1-13-9-19-14(11-22-24(19)16-5-3-15(20)4-6-16)10-18(13)23-8-7-17(12-23)27(25,26)21-2/h3-6,9-11,17,21H,7-8,12H2,1-2H3
InChIKeySVUHIBQUXPEZNE-UHFFFAOYSA-N
XLogP2.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 167337299
5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 174232051
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
CID 166917364
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
CID 170273752
1-(4-fluorophenyl)-6-methyl-5-[5-(1-propylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]indazole
CID 166916265
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 166917285
N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 74324161
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916420
(3S)-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N,N-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 168812762
1-(4-fluorophenyl)-6-methyl-5-[(2S)-4-(2-methyltriazol-4-yl)sulfonylpiperazin-2-yl]indazole
CID 168813243

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide (CID 163977915) is 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(c2cc3cnn(-c4ccc(F)cc4)c3cc2C)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is SVUHIBQUXPEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-13-9-19-14(11-22-24(19)16-5-3-15(20)4-6-16)10-18(13)23-8-7-17(12-23)27(25,26)21-2/h3-6,9-11,17,21H,7-8,12H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide?
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 388.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 163977915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).