N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

C16H15BrN2O3S2 — CID 53079301

IUPACN-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)s2)on1
InChIInChI=1S/C16H15BrN2O3S2/c1-9-6-12(4-5-13(9)17)19-24(20,21)16-8-15(23-11(16)3)14-7-10(2)18-22-14/h4-8,19H,1-3H3
InChIKeyBRSUFZLNZAFXNK-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.89
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079301) has the molecular formula C16H15BrN2O3S2 and a molecular weight of 427.35 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079301
Molecular FormulaC16H15BrN2O3S2
Molecular Weight427.35 g/mol
Exact Mass425.97
IUPAC NameN-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)s2)on1
InChIInChI=1S/C16H15BrN2O3S2/c1-9-6-12(4-5-13(9)17)19-24(20,21)16-8-15(23-11(16)3)14-7-10(2)18-22-14/h4-8,19H,1-3H3
InChIKeyBRSUFZLNZAFXNK-UHFFFAOYSA-N
XLogP4.89
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079297
N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079288
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057236
N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079287
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079292
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079380
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
N-(4-methoxyphenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079438
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
CID 53079541

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079301) is N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)s2)on1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is BRSUFZLNZAFXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S2/c1-9-6-12(4-5-13(9)17)19-24(20,21)16-8-15(23-11(16)3)14-7-10(2)18-22-14/h4-8,19H,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 427.35 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).