methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate

C11H11FN2O4S — CID 167525145

IUPACmethyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(NS(C)(=O)=O)cc(F)cc2[nH]1
InChIInChI=1S/C11H11FN2O4S/c1-18-11(15)10-5-7-8(13-10)3-6(12)4-9(7)14-19(2,16)17/h3-5,13-14H,1-2H3
InChIKeyGRPREYLNYMNEFN-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.47
Rot. Bonds3

About methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate

methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate (PubChem CID 167525145) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate
PubChem CID167525145
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Namemethyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(NS(C)(=O)=O)cc(F)cc2[nH]1
InChIInChI=1S/C11H11FN2O4S/c1-18-11(15)10-5-7-8(13-10)3-6(12)4-9(7)14-19(2,16)17/h3-5,13-14H,1-2H3
InChIKeyGRPREYLNYMNEFN-UHFFFAOYSA-N
XLogP1.47
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-ethyl-6-fluoro-1H-indole-2-carboxylate
CID 146155137
sodium;methanolate;methyl 6-fluoro-4-methoxy-1H-indole-2-carboxylate
CID 67227531
N-[(1S)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-4-(methanesulfonamido)-N-methyl-1H-indole-2-carboxamide
CID 167525137
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
CID 155973516
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 10709261
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
CID 176600119
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(methanesulfonamido)quinoline-7-carboxylate
CID 68821465
methyl 5,6-dimethyl-1H-indole-2-carboxylate
CID 10867407

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate (CID 167525145) is methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate is COC(=O)c1cc2c(NS(C)(=O)=O)cc(F)cc2[nH]1.
What is the InChIKey of methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate?
The InChIKey is GRPREYLNYMNEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-18-11(15)10-5-7-8(13-10)3-6(12)4-9(7)14-19(2,16)17/h3-5,13-14H,1-2H3.
What are the key properties of methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate?
methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-(methanesulfonamido)-1H-indole-2-carboxylate is sourced from PubChem (CID 167525145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).