5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide

C18H18Br2N4O6S2 — CID 10348762

IUPAC5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H18Br2N4O6S2/c1-30-14-5-3-11(20)9-15(14)31(26,27)22-6-7-23-32(28,29)17-12-8-10(19)2-4-13(12)24-16(17)18(21)25/h2-5,8-9,22-24H,6-7H2,1H3,(H2,21,25)
InChIKeyWYTCWCKOWJLAKW-UHFFFAOYSA-N
MW610.31 g/mol
LogP2.06
Rot. Bonds9

About 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide

5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide (PubChem CID 10348762) has the molecular formula C18H18Br2N4O6S2 and a molecular weight of 610.31 g/mol. Its IUPAC name is 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide
PubChem CID10348762
Molecular FormulaC18H18Br2N4O6S2
Molecular Weight610.31 g/mol
Exact Mass607.90
IUPAC Name5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H18Br2N4O6S2/c1-30-14-5-3-11(20)9-15(14)31(26,27)22-6-7-23-32(28,29)17-12-8-10(19)2-4-13(12)24-16(17)18(21)25/h2-5,8-9,22-24H,6-7H2,1H3,(H2,21,25)
InChIKeyWYTCWCKOWJLAKW-UHFFFAOYSA-N
XLogP2.06
TPSA160.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.31
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide (CID 10348762) is 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide is COc1ccc(Br)cc1S(=O)(=O)NCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide?
The InChIKey is WYTCWCKOWJLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N4O6S2/c1-30-14-5-3-11(20)9-15(14)31(26,27)22-6-7-23-32(28,29)17-12-8-10(19)2-4-13(12)24-16(17)18(21)25/h2-5,8-9,22-24H,6-7H2,1H3,(H2,21,25).
What are the key properties of 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide?
5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide has a molecular weight of 610.31 g/mol, XLogP of 2.06, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10348762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).