N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide

C20H16N2O3S — CID 3371014

IUPACN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)oc2c1
InChIInChI=1S/C20H16N2O3S/c1-14-7-12-18-19(13-14)25-20(21-18)15-8-10-16(11-9-15)22-26(23,24)17-5-3-2-4-6-17/h2-13,22H,1H3
InChIKeyTTWVQGWTZYRHRZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.60
Rot. Bonds4

About N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 3371014) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID3371014
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)oc2c1
InChIInChI=1S/C20H16N2O3S/c1-14-7-12-18-19(13-14)25-20(21-18)15-8-10-16(11-9-15)22-26(23,24)17-5-3-2-4-6-17/h2-13,22H,1H3
InChIKeyTTWVQGWTZYRHRZ-UHFFFAOYSA-N
XLogP4.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
CID 155560132
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-dichlorobenzenesulfonamide
CID 155559479
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780
N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide
CID 10598953
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 21169188
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
5-[[4-(1,3-benzoxazol-2-yl)phenyl]sulfamoyl]-2-chlorobenzoic acid
CID 58937205
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84562589

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide (CID 3371014) is N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide is Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)oc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is TTWVQGWTZYRHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-14-7-12-18-19(13-14)25-20(21-18)15-8-10-16(11-9-15)22-26(23,24)17-5-3-2-4-6-17/h2-13,22H,1H3.
What are the key properties of N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide?
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3371014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).