[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol

C17H14ClNO5S — CID 70662910

IUPAC[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)n1c(CO)cc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClNO5S/c18-12-1-3-15-11(7-12)8-13(10-20)19(15)25(21,22)14-2-4-16-17(9-14)24-6-5-23-16/h1-4,7-9,20H,5-6,10H2
InChIKeyJXHOUKQVSRAASD-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.80
Rot. Bonds3

About [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol

[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol (PubChem CID 70662910) has the molecular formula C17H14ClNO5S and a molecular weight of 379.82 g/mol. Its IUPAC name is [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol
PubChem CID70662910
Molecular FormulaC17H14ClNO5S
Molecular Weight379.82 g/mol
Exact Mass379.03
IUPAC Name[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)n1c(CO)cc2cc(Cl)ccc21
InChIInChI=1S/C17H14ClNO5S/c18-12-1-3-15-11(7-12)8-13(10-20)19(15)25(21,22)14-2-4-16-17(9-14)24-6-5-23-16/h1-4,7-9,20H,5-6,10H2
InChIKeyJXHOUKQVSRAASD-UHFFFAOYSA-N
XLogP2.80
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Chlorophenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
CID 162773063
4-[5-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butanoic acid
CID 16047923
2-[(E)-[6-chloro-9-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydro-1H-carbazol-4-ylidene]amino]guanidine
CID 22394664
Methyl 2-[[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methoxy]-2-methylpropanoate
CID 68675013
Methyl 2-[[5-chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoate
CID 68675620
2-[[5-Chloro-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indol-2-yl]methoxy]-2-methylpropanoic acid
CID 68675737
Methyl 2-[[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloroindol-2-yl]methoxy]-2-methylpropanoate
CID 68675859
2-[[5-Chloro-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)indol-2-yl]methoxy]-2-methylpropanoic acid
CID 68676202
Ethyl 2-[[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methoxy]propanoate
CID 68676945
2-[[1-(1,3-Benzodioxol-5-ylsulfonyl)-5-chloroindol-2-yl]methoxy]-2-methylpropanoic acid
CID 68677040
Methyl 4-[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]butanoate
CID 68677172
2-[[5-Chloro-1-(4-methoxyphenyl)sulfonylindol-2-yl]methoxy]-2-methylpropanoic acid
CID 68677378

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol?
The IUPAC name of [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol (CID 70662910) is [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol.
What is the SMILES notation for [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol?
The canonical SMILES for [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol is O=S(=O)(c1ccc2c(c1)OCCO2)n1c(CO)cc2cc(Cl)ccc21.
What is the InChIKey of [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol?
The InChIKey is JXHOUKQVSRAASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5S/c18-12-1-3-15-11(7-12)8-13(10-20)19(15)25(21,22)14-2-4-16-17(9-14)24-6-5-23-16/h1-4,7-9,20H,5-6,10H2.
What are the key properties of [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol?
[5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol has a molecular weight of 379.82 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)indol-2-yl]methanol is sourced from PubChem (CID 70662910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).