N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide

C16H13ClN2O3S — CID 169371933

IUPACN-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3cnco3)c2)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-11-2-5-13(6-3-11)23(20,21)19-12-4-7-15(17)14(8-12)16-9-18-10-22-16/h2-10,19H,1H3
InChIKeyVBDTWRVCPLTIDP-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.10
Rot. Bonds4

About N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169371933) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169371933
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3cnco3)c2)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-11-2-5-13(6-3-11)23(20,21)19-12-4-7-15(17)14(8-12)16-9-18-10-22-16/h2-10,19H,1H3
InChIKeyVBDTWRVCPLTIDP-UHFFFAOYSA-N
XLogP4.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 2806355
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(4-chloro-3-propylphenyl)-4-methylbenzenesulfonamide
CID 165345419
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide (CID 169371933) is N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-c3cnco3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VBDTWRVCPLTIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-11-2-5-13(6-3-11)23(20,21)19-12-4-7-15(17)14(8-12)16-9-18-10-22-16/h2-10,19H,1H3.
What are the key properties of N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).