N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide

C9H14BrNO2S2 — CID 114298402

IUPACN-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
SMILESCCC(CBr)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H14BrNO2S2/c1-3-8(6-10)11-15(12,13)9-5-4-7(2)14-9/h4-5,8,11H,3,6H2,1-2H3
InChIKeyUIXYJLJGTNOJQR-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.51
Rot. Bonds5

About N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide

N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 114298402) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
PubChem CID114298402
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC NameN-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
SMILESCCC(CBr)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C9H14BrNO2S2/c1-3-8(6-10)11-15(12,13)9-5-4-7(2)14-9/h4-5,8,11H,3,6H2,1-2H3
InChIKeyUIXYJLJGTNOJQR-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
CID 55101734
N-(1-bromobutan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416070
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 59255563
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
5-methyl-N-(6-methylheptan-2-yl)thiophene-2-sulfonamide
CID 55365027
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 55159229
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide (CID 114298402) is N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide is CCC(CBr)NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is UIXYJLJGTNOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-3-8(6-10)11-15(12,13)9-5-4-7(2)14-9/h4-5,8,11H,3,6H2,1-2H3.
What are the key properties of N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide?
N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 312.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114298402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).