N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide

C23H18ClN3O4S — CID 59788722

IUPACN-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3ocnc3C)cc2)cn1
InChIInChI=1S/C23H18ClN3O4S/c1-14-3-4-17(12-25-14)22(28)20-11-18(24)7-10-21(20)27-32(29,30)19-8-5-16(6-9-19)23-15(2)26-13-31-23/h3-13,27H,1-2H3
InChIKeyARALQGOUUWXDFP-UHFFFAOYSA-N
MW467.93 g/mol
LogP5.04
Rot. Bonds6

About N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide

N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 59788722) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID59788722
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC NameN-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3ocnc3C)cc2)cn1
InChIInChI=1S/C23H18ClN3O4S/c1-14-3-4-17(12-25-14)22(28)20-11-18(24)7-10-21(20)27-32(29,30)19-8-5-16(6-9-19)23-15(2)26-13-31-23/h3-13,27H,1-2H3
InChIKeyARALQGOUUWXDFP-UHFFFAOYSA-N
XLogP5.04
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 59788722) is N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3ocnc3C)cc2)cn1.
What is the InChIKey of N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is ARALQGOUUWXDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c1-14-3-4-17(12-25-14)22(28)20-11-18(24)7-10-21(20)27-32(29,30)19-8-5-16(6-9-19)23-15(2)26-13-31-23/h3-13,27H,1-2H3.
What are the key properties of N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 467.93 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 59788722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).