methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate

C11H16BrNO4S2 — CID 37476569

IUPACmethyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
SMILESCCCCCNS(=O)(=O)c1cc(C(=O)OC)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-3-4-5-6-13-19(15,16)9-7-8(11(14)17-2)18-10(9)12/h7,13H,3-6H2,1-2H3
InChIKeyNANGRCPAZBYDJI-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.77
Rot. Bonds7

About methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate

methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate (PubChem CID 37476569) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
PubChem CID37476569
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Namemethyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate
SMILESCCCCCNS(=O)(=O)c1cc(C(=O)OC)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-3-4-5-6-13-19(15,16)9-7-8(11(14)17-2)18-10(9)12/h7,13H,3-6H2,1-2H3
InChIKeyNANGRCPAZBYDJI-UHFFFAOYSA-N
XLogP2.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
methyl 4-[(2-amino-2-oxoethyl)sulfamoyl]-5-bromothiophene-2-carboxylate
CID 64591938
methyl 5-bromo-4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]thiophene-2-carboxylate
CID 65113005
methyl 5-bromo-4-[[(2R)-2-hydroxypropyl]sulfamoyl]thiophene-2-carboxylate
CID 83030015
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
methyl 5-bromo-4-[(3-hydroxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylate
CID 65034395
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
(2R)-2-[(2-bromo-5-methoxycarbonylthiophen-3-yl)sulfonylamino]pentanoic acid
CID 107564848
methyl 6-[(2,5-dibromothiophen-3-yl)sulfonylamino]hexanoate
CID 43405597
methyl 5-bromo-4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]thiophene-2-carboxylate
CID 63298803

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate (CID 37476569) is methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate is CCCCCNS(=O)(=O)c1cc(C(=O)OC)sc1Br.
What is the InChIKey of methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is NANGRCPAZBYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-3-4-5-6-13-19(15,16)9-7-8(11(14)17-2)18-10(9)12/h7,13H,3-6H2,1-2H3.
What are the key properties of methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate?
methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 370.29 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-(pentylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 37476569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).