N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide

C18H20N2O3S — CID 169370870

IUPACN-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
SMILESCCCCc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2o1
InChIInChI=1S/C18H20N2O3S/c1-3-4-5-18-19-16-11-8-14(12-17(16)23-18)20-24(21,22)15-9-6-13(2)7-10-15/h6-12,20H,3-5H2,1-2H3
InChIKeyANNHEXACUDCKTO-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.28
Rot. Bonds6

About N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide

N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide (PubChem CID 169370870) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
PubChem CID169370870
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide
SMILESCCCCc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2o1
InChIInChI=1S/C18H20N2O3S/c1-3-4-5-18-19-16-11-8-14(12-17(16)23-18)20-24(21,22)15-9-6-13(2)7-10-15/h6-12,20H,3-5H2,1-2H3
InChIKeyANNHEXACUDCKTO-UHFFFAOYSA-N
XLogP4.28
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
2-butyl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358031
N-(2-butyl-1,3-benzoxazol-5-yl)methanesulfonamide
CID 22973776
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-(3,5-dibutyl-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 142633265
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110729058
6-(bromomethyl)-2-butyl-1,3-benzoxazole
CID 146453858
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
CID 165345419

Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide (CID 169370870) is N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide is CCCCc1nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2o1.
What is the InChIKey of N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is ANNHEXACUDCKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-4-5-18-19-16-11-8-14(12-17(16)23-18)20-24(21,22)15-9-6-13(2)7-10-15/h6-12,20H,3-5H2,1-2H3.
What are the key properties of N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide?
N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-1,3-benzoxazol-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).