[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol

C19H18FNO3S — CID 23518915

IUPAC[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc([C@H]3C[C@@H]3CO)c3cc(F)ccc32)cc1
InChIInChI=1S/C19H18FNO3S/c1-12-2-5-15(6-3-12)25(23,24)21-10-18(16-8-13(16)11-22)17-9-14(20)4-7-19(17)21/h2-7,9-10,13,16,22H,8,11H2,1H3/t13-,16+/m1/s1
InChIKeyOHOQHMSVRIZYLK-CJNGLKHVSA-N
MW359.42 g/mol
LogP3.42
Rot. Bonds4

About [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol

[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol (PubChem CID 23518915) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
PubChem CID23518915
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
SMILESCc1ccc(S(=O)(=O)n2cc([C@H]3C[C@@H]3CO)c3cc(F)ccc32)cc1
InChIInChI=1S/C19H18FNO3S/c1-12-2-5-15(6-3-12)25(23,24)21-10-18(16-8-13(16)11-22)17-9-14(20)4-7-19(17)21/h2-7,9-10,13,16,22H,8,11H2,1H3/t13-,16+/m1/s1
InChIKeyOHOQHMSVRIZYLK-CJNGLKHVSA-N
XLogP3.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol (CID 23518915) is [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol is Cc1ccc(S(=O)(=O)n2cc([C@H]3C[C@@H]3CO)c3cc(F)ccc32)cc1.
What is the InChIKey of [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol?
The InChIKey is OHOQHMSVRIZYLK-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-12-2-5-15(6-3-12)25(23,24)21-10-18(16-8-13(16)11-22)17-9-14(20)4-7-19(17)21/h2-7,9-10,13,16,22H,8,11H2,1H3/t13-,16+/m1/s1.
What are the key properties of [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol?
[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol has a molecular weight of 359.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 23518915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).