N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide

C21H18N2O4S — CID 17092623

IUPACN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)c1
InChIInChI=1S/C21H18N2O4S/c1-14-6-9-18(10-7-14)28(24,25)23-16-8-11-20-19(13-16)22-21(27-20)15-4-3-5-17(12-15)26-2/h3-13,23H,1-2H3
InChIKeyHDQBHDNYYLNFJB-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.61
Rot. Bonds5

About N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide

N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 17092623) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID17092623
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)c1
InChIInChI=1S/C21H18N2O4S/c1-14-6-9-18(10-7-14)28(24,25)23-16-8-11-20-19(13-16)22-21(27-20)15-4-3-5-17(12-15)26-2/h3-13,23H,1-2H3
InChIKeyHDQBHDNYYLNFJB-UHFFFAOYSA-N
XLogP4.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
5-fluoro-2-methoxy-N-[4-[5-[(4-methoxyphenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 164615909
4-amino-N-[4-[5-[(4-aminophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134146721
3-nitro-N-[4-[5-[(3-nitrophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134141423
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 1100251
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
2-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]propanedinitrile
CID 168544300
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide (CID 17092623) is N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide is COc1cccc(-c2nc3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is HDQBHDNYYLNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-14-6-9-18(10-7-14)28(24,25)23-16-8-11-20-19(13-16)22-21(27-20)15-4-3-5-17(12-15)26-2/h3-13,23H,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide?
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 17092623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).