methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate

C17H15FN2O4S — CID 666984

IUPACmethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H15FN2O4S/c1-10-9-11(7-8-13(10)18)25(22,23)20-15-12-5-3-4-6-14(12)19-16(15)17(21)24-2/h3-9,19-20H,1-2H3
InChIKeyLCKZFYYISDAOBZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.20
Rot. Bonds4

About methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate

methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 666984) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID666984
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Namemethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C17H15FN2O4S/c1-10-9-11(7-8-13(10)18)25(22,23)20-15-12-5-3-4-6-14(12)19-16(15)17(21)24-2/h3-9,19-20H,1-2H3
InChIKeyLCKZFYYISDAOBZ-UHFFFAOYSA-N
XLogP3.20
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
CID 666090
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 16530198
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7006411
methyl 6-methoxy-3-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonylamino]-1H-indole-2-carboxylate
CID 4871578
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7008709
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 110734574
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
methyl 2-[(4-fluorophenyl)sulfonylamino]-3-methylbenzoate
CID 22633909

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate (CID 666984) is methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is LCKZFYYISDAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-10-9-11(7-8-13(10)18)25(22,23)20-15-12-5-3-4-6-14(12)19-16(15)17(21)24-2/h3-9,19-20H,1-2H3.
What are the key properties of methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 666984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).