1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol

C20H22FNO3S — CID 162435472

IUPAC1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cc2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H22FNO3S/c1-4-14(3)20(23)19-12-15-11-16(21)7-10-18(15)22(19)26(24,25)17-8-5-13(2)6-9-17/h5-12,14,20,23H,4H2,1-3H3
InChIKeyZPBYVVZMQNCFLM-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.41
Rot. Bonds5

About 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol

1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol (PubChem CID 162435472) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol
PubChem CID162435472
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cc2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H22FNO3S/c1-4-14(3)20(23)19-12-15-11-16(21)7-10-18(15)22(19)26(24,25)17-8-5-13(2)6-9-17/h5-12,14,20,23H,4H2,1-3H3
InChIKeyZPBYVVZMQNCFLM-UHFFFAOYSA-N
XLogP4.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
3-butan-2-yl-2-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 132594480
5-fluoro-1-(4-methylphenyl)sulfonylindazole
CID 132915435
1-(benzenesulfonyl)-5-fluoro-2-methylindole;4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
CID 142912337
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
1,3-bis[(4-fluorophenyl)sulfonyl]-5-methylbenzimidazol-2-one
CID 18559050
2-[(2-bromophenoxy)methyl]-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 102502829
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
3-[1-(benzenesulfonyl)-5-methylindol-2-yl]propanoic acid
CID 68677465
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol?
The IUPAC name of 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol (CID 162435472) is 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol is CCC(C)C(O)c1cc2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol?
The InChIKey is ZPBYVVZMQNCFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-4-14(3)20(23)19-12-15-11-16(21)7-10-18(15)22(19)26(24,25)17-8-5-13(2)6-9-17/h5-12,14,20,23H,4H2,1-3H3.
What are the key properties of 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol?
1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol has a molecular weight of 375.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 162435472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).