N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

C8H11BrClNO2S2 — CID 103100750

IUPACN-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCBr)sc1Cl
InChIInChI=1S/C8H11BrClNO2S2/c1-6-5-7(14-8(6)10)15(12,13)11(2)4-3-9/h5H,3-4H2,1-2H3
InChIKeyNWAIHYWNCNMURU-UHFFFAOYSA-N
MW332.67 g/mol
LogP2.73
Rot. Bonds4

About N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 103100750) has the molecular formula C8H11BrClNO2S2 and a molecular weight of 332.67 g/mol. Its IUPAC name is N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
PubChem CID103100750
Molecular FormulaC8H11BrClNO2S2
Molecular Weight332.67 g/mol
Exact Mass330.91
IUPAC NameN-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCBr)sc1Cl
InChIInChI=1S/C8H11BrClNO2S2/c1-6-5-7(14-8(6)10)15(12,13)11(2)4-3-9/h5H,3-4H2,1-2H3
InChIKeyNWAIHYWNCNMURU-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 107206301
ethyl 3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-methylamino]propanoate
CID 103100582
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
N-[(2-aminophenyl)methyl]-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099506
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
5-chloro-N-(2-chloroethyl)-4-methyl-N-propylthiophene-2-sulfonamide
CID 103100693
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
CID 103100118
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methylthiophene-2-sulfonamide
CID 103100248
N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (CID 103100750) is N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)CCBr)sc1Cl.
What is the InChIKey of N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is NWAIHYWNCNMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClNO2S2/c1-6-5-7(14-8(6)10)15(12,13)11(2)4-3-9/h5H,3-4H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 332.67 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 103100750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).