[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate

C16H12F2N2O5S — CID 174242673

IUPAC[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate
SMILESNC(=O)OCc1cc2c(F)c(F)c(O)cc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H12F2N2O5S/c17-14-11-6-9(8-25-16(19)22)20(12(11)7-13(21)15(14)18)26(23,24)10-4-2-1-3-5-10/h1-7,21H,8H2,(H2,19,22)
InChIKeyPPCSCORCXQOPDU-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.46
Rot. Bonds4

About [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate

[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate (PubChem CID 174242673) has the molecular formula C16H12F2N2O5S and a molecular weight of 382.34 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate
PubChem CID174242673
Molecular FormulaC16H12F2N2O5S
Molecular Weight382.34 g/mol
Exact Mass382.04
IUPAC Name[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate
SMILESNC(=O)OCc1cc2c(F)c(F)c(O)cc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H12F2N2O5S/c17-14-11-6-9(8-25-16(19)22)20(12(11)7-13(21)15(14)18)26(23,24)10-4-2-1-3-5-10/h1-7,21H,8H2,(H2,19,22)
InChIKeyPPCSCORCXQOPDU-UHFFFAOYSA-N
XLogP2.46
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(benzenesulfonyl)carbazole-1,2,6,7-tetrol
CID 5328691
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
ethyl 1-(benzenesulfonyl)-2-fluoro-5-phenylpyrrole-3-carboxylate
CID 66924523
methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate
CID 68676184
benzyl 1-(benzenesulfonyl)indazole-3-carboxylate
CID 156531847
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
2-[[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]methoxy]-2-methylpropanoic acid
CID 87537964
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one
CID 142635493
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
[9-(benzenesulfonyl)carbazol-4-yl] acetate
CID 11257063
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate?
The IUPAC name of [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate (CID 174242673) is [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate.
What is the SMILES notation for [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate?
The canonical SMILES for [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate is NC(=O)OCc1cc2c(F)c(F)c(O)cc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate?
The InChIKey is PPCSCORCXQOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O5S/c17-14-11-6-9(8-25-16(19)22)20(12(11)7-13(21)15(14)18)26(23,24)10-4-2-1-3-5-10/h1-7,21H,8H2,(H2,19,22).
What are the key properties of [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate?
[1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate has a molecular weight of 382.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4,5-difluoro-6-hydroxyindol-2-yl]methyl carbamate is sourced from PubChem (CID 174242673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).