N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide

C19H19ClN2O3S — CID 20935502

IUPACN-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-11-6-8-16(10-17(11)20)22-26(23,24)18-9-15(7-5-12(18)2)19-13(3)14(4)21-25-19/h5-10,22H,1-4H3
InChIKeyUHVSGSDLJVSYHI-UHFFFAOYSA-N
MW390.89 g/mol
LogP5.03
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide

N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 20935502) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID20935502
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1Cl
InChIInChI=1S/C19H19ClN2O3S/c1-11-6-8-16(10-17(11)20)22-26(23,24)18-9-15(7-5-12(18)2)19-13(3)14(4)21-25-19/h5-10,22H,1-4H3
InChIKeyUHVSGSDLJVSYHI-UHFFFAOYSA-N
XLogP5.03
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079380
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935555
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935509
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935556
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 20935524
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 20935502) is N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is UHVSGSDLJVSYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-11-6-8-16(10-17(11)20)22-26(23,24)18-9-15(7-5-12(18)2)19-13(3)14(4)21-25-19/h5-10,22H,1-4H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 20935502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).