5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide

C18H19BrN4O4S — CID 10073258

IUPAC5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(NCCNS(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C18H19BrN4O4S/c1-27-13-5-3-12(4-6-13)21-8-9-22-28(25,26)17-14-10-11(19)2-7-15(14)23-16(17)18(20)24/h2-7,10,21-23H,8-9H2,1H3,(H2,20,24)
InChIKeyJBXCMFCPQPFLPI-UHFFFAOYSA-N
MW467.35 g/mol
LogP2.43
Rot. Bonds8

About 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide

5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide (PubChem CID 10073258) has the molecular formula C18H19BrN4O4S and a molecular weight of 467.35 g/mol. Its IUPAC name is 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide
PubChem CID10073258
Molecular FormulaC18H19BrN4O4S
Molecular Weight467.35 g/mol
Exact Mass466.03
IUPAC Name5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide
SMILESCOc1ccc(NCCNS(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C18H19BrN4O4S/c1-27-13-5-3-12(4-6-13)21-8-9-22-28(25,26)17-14-10-11(19)2-7-15(14)23-16(17)18(20)24/h2-7,10,21-23H,8-9H2,1H3,(H2,20,24)
InChIKeyJBXCMFCPQPFLPI-UHFFFAOYSA-N
XLogP2.43
TPSA126.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide
CID 10348762
5-bromo-3-[1-(propylsulfonylamino)ethylsulfamoyl]-1H-indole-2-carboxamide
CID 87375107
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide
CID 10043916
5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
CID 90709499
5-chloro-3-(2-phenylethylsulfamoyl)-1H-indole-2-carboxamide
CID 10068194
5-bromo-3-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfinamoyl]-1H-indole-2-carboxamide
CID 142861151
N-[(5-bromo-1H-indol-3-yl)methyl]-4-methoxyaniline
CID 20509762
N-[3-(3,6-dibromocarbazol-9-yl)propyl]-4-methoxyaniline
CID 91116866
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546898
5-bromo-3-(6-oxa-3-azabicyclo[3.1.0]hexan-3-ylsulfonyl)-1H-indole-2-carboxamide
CID 10340089
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide (CID 10073258) is 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide is COc1ccc(NCCNS(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide?
The InChIKey is JBXCMFCPQPFLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O4S/c1-27-13-5-3-12(4-6-13)21-8-9-22-28(25,26)17-14-10-11(19)2-7-15(14)23-16(17)18(20)24/h2-7,10,21-23H,8-9H2,1H3,(H2,20,24).
What are the key properties of 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide?
5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide has a molecular weight of 467.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10073258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).