N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide

C20H15ClN2O3S — CID 1364400

IUPACN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O3S/c1-13-7-8-14(20-22-18-12-15(21)9-10-19(18)26-20)11-17(13)23-27(24,25)16-5-3-2-4-6-16/h2-12,23H,1H3
InChIKeyIHZYVFCLFATSFS-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.26
Rot. Bonds4

About N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide (PubChem CID 1364400) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide
PubChem CID1364400
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC NameN-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClN2O3S/c1-13-7-8-14(20-22-18-12-15(21)9-10-19(18)26-20)11-17(13)23-27(24,25)16-5-3-2-4-6-16/h2-12,23H,1H3
InChIKeyIHZYVFCLFATSFS-UHFFFAOYSA-N
XLogP5.26
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185179
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethoxybenzamide
CID 1363611
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 23847828
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782453
N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide
CID 1362607
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
CID 67282863
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308653
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2,5-dichloro-N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23766476

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide (CID 1364400) is N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide is Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is IHZYVFCLFATSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c1-13-7-8-14(20-22-18-12-15(21)9-10-19(18)26-20)11-17(13)23-27(24,25)16-5-3-2-4-6-16/h2-12,23H,1H3.
What are the key properties of N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide?
N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 398.87 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 1364400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).