ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate

C17H15ClN2O4S — CID 3701191

IUPACethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2[nH]1
InChIInChI=1S/C17H15ClN2O4S/c1-2-24-17(21)15-10-11-4-3-5-14(16(11)19-15)20-25(22,23)13-8-6-12(18)7-9-13/h3-10,19-20H,2H2,1H3
InChIKeyRXUXZRQCYNZURP-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.80
Rot. Bonds5

About ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate

ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 3701191) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID3701191
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Nameethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2[nH]1
InChIInChI=1S/C17H15ClN2O4S/c1-2-24-17(21)15-10-11-4-3-5-14(16(11)19-15)20-25(22,23)13-8-6-12(18)7-9-13/h3-10,19-20H,2H2,1H3
InChIKeyRXUXZRQCYNZURP-UHFFFAOYSA-N
XLogP3.80
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate (CID 3701191) is ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2[nH]1.
What is the InChIKey of ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is RXUXZRQCYNZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-2-24-17(21)15-10-11-4-3-5-14(16(11)19-15)20-25(22,23)13-8-6-12(18)7-9-13/h3-10,19-20H,2H2,1H3.
What are the key properties of ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate?
ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 378.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-chlorophenyl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 3701191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).