5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide

C11H16BrNO3S2 — CID 103748795

IUPAC5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCCOCC1CC1
InChIInChI=1S/C11H16BrNO3S2/c1-8-10(6-11(12)17-8)18(14,15)13-4-5-16-7-9-2-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeyTXQJTJUTPLAZTI-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.52
Rot. Bonds7

About 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide (PubChem CID 103748795) has the molecular formula C11H16BrNO3S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
PubChem CID103748795
Molecular FormulaC11H16BrNO3S2
Molecular Weight354.29 g/mol
Exact Mass352.98
IUPAC Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCCOCC1CC1
InChIInChI=1S/C11H16BrNO3S2/c1-8-10(6-11(12)17-8)18(14,15)13-4-5-16-7-9-2-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeyTXQJTJUTPLAZTI-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-cyclopropylpropyl)-2-methylthiophene-3-sulfonamide
CID 115690369
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
5-bromo-2-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119976925
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-methylbenzenesulfonamide
CID 39624570
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide (CID 103748795) is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCCOCC1CC1.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is TXQJTJUTPLAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S2/c1-8-10(6-11(12)17-8)18(14,15)13-4-5-16-7-9-2-3-9/h6,9,13H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide?
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 354.29 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 103748795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).