4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide

C15H14N2O3S — CID 169371778

IUPAC4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3oc(C)nc23)cc1
InChIInChI=1S/C15H14N2O3S/c1-10-6-8-12(9-7-10)21(18,19)17-13-4-3-5-14-15(13)16-11(2)20-14/h3-9,17H,1-2H3
InChIKeyFQHQRHJEBUUOBQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.25
Rot. Bonds3

About 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide

4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide (PubChem CID 169371778) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
PubChem CID169371778
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3oc(C)nc23)cc1
InChIInChI=1S/C15H14N2O3S/c1-10-6-8-12(9-7-10)21(18,19)17-13-4-3-5-14-15(13)16-11(2)20-14/h3-9,17H,1-2H3
InChIKeyFQHQRHJEBUUOBQ-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

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772
N-[2-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 59081622
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 101406239
4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide
CID 10206426
N-[1-(4-methylphenyl)sulfonylbenzotriazol-4-yl]benzenesulfonamide
CID 15122288
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide (CID 169371778) is 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3oc(C)nc23)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide?
The InChIKey is FQHQRHJEBUUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-6-8-12(9-7-10)21(18,19)17-13-4-3-5-14-15(13)16-11(2)20-14/h3-9,17H,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide?
4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide 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 4-methyl-N-(2-methyl-1,3-benzoxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 169371778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).