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

C15H13BrN2O4S2 — CID 23445238

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)s2)cc1
InChIInChI=1S/C15H13BrN2O4S2/c1-9-14(16)15(22-17-9)18-24(19,20)13-8-7-12(23-13)10-3-5-11(21-2)6-4-10/h3-8,18H,1-2H3
InChIKeyKTDKDFUQRKEJCE-UHFFFAOYSA-N
MW429.32 g/mol
LogP4.28
Rot. Bonds5

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 23445238) has the molecular formula C15H13BrN2O4S2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID23445238
Molecular FormulaC15H13BrN2O4S2
Molecular Weight429.32 g/mol
Exact Mass427.95
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)s2)cc1
InChIInChI=1S/C15H13BrN2O4S2/c1-9-14(16)15(22-17-9)18-24(19,20)13-8-7-12(23-13)10-3-5-11(21-2)6-4-10/h3-8,18H,1-2H3
InChIKeyKTDKDFUQRKEJCE-UHFFFAOYSA-N
XLogP4.28
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide (CID 23445238) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide is COc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)s2)cc1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is KTDKDFUQRKEJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4S2/c1-9-14(16)15(22-17-9)18-24(19,20)13-8-7-12(23-13)10-3-5-11(21-2)6-4-10/h3-8,18H,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 429.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 23445238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).