3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide

C16H14N2O4S — CID 133054783

IUPAC3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2c(C(N)=O)c(O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O4S/c1-10-6-8-11(9-7-10)23(21,22)18-13-5-3-2-4-12(13)15(19)14(18)16(17)20/h2-9,19H,1H3,(H2,17,20)
InChIKeyLQDUHNVWPCBLLI-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.99
Rot. Bonds3

About 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide

3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide (PubChem CID 133054783) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
PubChem CID133054783
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2c(C(N)=O)c(O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O4S/c1-10-6-8-11(9-7-10)23(21,22)18-13-5-3-2-4-12(13)15(19)14(18)16(17)20/h2-9,19H,1H3,(H2,17,20)
InChIKeyLQDUHNVWPCBLLI-UHFFFAOYSA-N
XLogP1.99
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-methylsulfonylindole-2-carboxamide
CID 133058196
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
1-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]-3-phenylprop-2-yn-1-one
CID 134852452
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521
ethyl 5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-cyclohepta[b]indole-9-carboxylate
CID 102106611
tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate
CID 50936709
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
2-(diethoxymethyl)-3-methyl-1-(4-methylphenyl)sulfonylindole
CID 10620251
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
The IUPAC name of 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide (CID 133054783) is 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
The canonical SMILES for 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide is Cc1ccc(S(=O)(=O)n2c(C(N)=O)c(O)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
The InChIKey is LQDUHNVWPCBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-6-8-11(9-7-10)23(21,22)18-13-5-3-2-4-12(13)15(19)14(18)16(17)20/h2-9,19H,1H3,(H2,17,20).
What are the key properties of 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide is sourced from PubChem (CID 133054783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).