5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide

C10H12BrN3O3S2 — CID 113254409

IUPAC5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cc(Br)sc2C)n1
InChIInChI=1S/C10H12BrN3O3S2/c1-6-8(5-9(11)18-6)19(15,16)12-4-3-10-13-7(2)14-17-10/h5,12H,3-4H2,1-2H3
InChIKeyGYHZGGNQLPMMPY-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.03
Rot. Bonds5

About 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide

5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 113254409) has the molecular formula C10H12BrN3O3S2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
PubChem CID113254409
Molecular FormulaC10H12BrN3O3S2
Molecular Weight366.26 g/mol
Exact Mass364.95
IUPAC Name5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2cc(Br)sc2C)n1
InChIInChI=1S/C10H12BrN3O3S2/c1-6-8(5-9(11)18-6)19(15,16)12-4-3-10-13-7(2)14-17-10/h5,12H,3-4H2,1-2H3
InChIKeyGYHZGGNQLPMMPY-UHFFFAOYSA-N
XLogP2.03
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dibromo-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103768332
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 113228525
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
2-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106423536
2,4,6-trichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 47087293
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
2-amino-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413720
2-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106413785
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106423719

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide (CID 113254409) is 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide is Cc1noc(CCNS(=O)(=O)c2cc(Br)sc2C)n1.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is GYHZGGNQLPMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S2/c1-6-8(5-9(11)18-6)19(15,16)12-4-3-10-13-7(2)14-17-10/h5,12H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide?
5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 366.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 113254409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).