N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide

C15H14N2O3S — CID 110759694

IUPACN-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3ncoc3c2)c1
InChIInChI=1S/C15H14N2O3S/c1-10-5-11(2)7-12(6-10)17-21(18,19)13-3-4-14-15(8-13)20-9-16-14/h3-9,17H,1-2H3
InChIKeyBOCIDQFTAKWEFS-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.25
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide

N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759694) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110759694
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3ncoc3c2)c1
InChIInChI=1S/C15H14N2O3S/c1-10-5-11(2)7-12(6-10)17-21(18,19)13-3-4-14-15(8-13)20-9-16-14/h3-9,17H,1-2H3
InChIKeyBOCIDQFTAKWEFS-UHFFFAOYSA-N
XLogP3.25
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110728965
N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759753
N-butyl-1,3-benzoxazole-6-sulfonamide
CID 110759607
N-(1,3-benzoxazol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110728971
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110791001
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-(1,3-benzoxazol-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110728958
N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide (CID 110759694) is N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3ncoc3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is BOCIDQFTAKWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-5-11(2)7-12(6-10)17-21(18,19)13-3-4-14-15(8-13)20-9-16-14/h3-9,17H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide?
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).