N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide

C12H10N2O3S2 — CID 110728755

IUPACN-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)s1
InChIInChI=1S/C12H10N2O3S2/c1-8-2-5-12(18-8)19(15,16)14-9-3-4-11-10(6-9)13-7-17-11/h2-7,14H,1H3
InChIKeyMLTGWMFZGJLWLK-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.00
Rot. Bonds3

About N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide

N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 110728755) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
PubChem CID110728755
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC NameN-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)s1
InChIInChI=1S/C12H10N2O3S2/c1-8-2-5-12(18-8)19(15,16)14-9-3-4-11-10(6-9)13-7-17-11/h2-7,14H,1H3
InChIKeyMLTGWMFZGJLWLK-UHFFFAOYSA-N
XLogP3.00
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18092899
N-(1,3-benzoxazol-5-yl)-3-chlorobenzenesulfonamide
CID 110728785
N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728739
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
N-[4-(benzimidazol-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
CID 55382208

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide (CID 110728755) is N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3ocnc3c2)s1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is MLTGWMFZGJLWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c1-8-2-5-12(18-8)19(15,16)14-9-3-4-11-10(6-9)13-7-17-11/h2-7,14H,1H3.
What are the key properties of N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide?
N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 294.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110728755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).