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

C16H15BrN2O3S2 — CID 53079288

IUPACN-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c(Br)c1
InChIInChI=1S/C16H15BrN2O3S2/c1-9-4-5-13(12(17)6-9)19-24(20,21)16-8-15(23-11(16)3)14-7-10(2)18-22-14/h4-8,19H,1-3H3
InChIKeyNPCNRLTYGFVPOQ-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.89
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53079288) has the molecular formula C16H15BrN2O3S2 and a molecular weight of 427.35 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53079288
Molecular FormulaC16H15BrN2O3S2
Molecular Weight427.35 g/mol
Exact Mass425.97
IUPAC NameN-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c(Br)c1
InChIInChI=1S/C16H15BrN2O3S2/c1-9-4-5-13(12(17)6-9)19-24(20,21)16-8-15(23-11(16)3)14-7-10(2)18-22-14/h4-8,19H,1-3H3
InChIKeyNPCNRLTYGFVPOQ-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-(4-bromo-3-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079301
N-(2-bromo-4-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057224
N-(2,5-dimethoxyphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079287
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
2-methyl-N-(3-methylbutyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079292
N-(2-fluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079461
N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041567
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935509
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53079288) is N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is NPCNRLTYGFVPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S2/c1-9-4-5-13(12(17)6-9)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-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).