4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide

C17H15ClN2O3S — CID 55864644

IUPAC4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)oc1C
InChIInChI=1S/C17H15ClN2O3S/c1-11-12(2)23-17(19-11)13-4-3-5-15(10-13)20-24(21,22)16-8-6-14(18)7-9-16/h3-10,20H,1-2H3
InChIKeyFXGOHCDHRZFRRR-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.41
Rot. Bonds4

About 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide

4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 55864644) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID55864644
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)oc1C
InChIInChI=1S/C17H15ClN2O3S/c1-11-12(2)23-17(19-11)13-4-3-5-15(10-13)20-24(21,22)16-8-6-14(18)7-9-16/h3-10,20H,1-2H3
InChIKeyFXGOHCDHRZFRRR-UHFFFAOYSA-N
XLogP4.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 110726450
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
3-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542035
4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide
CID 141185656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 55864644) is 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)oc1C.
What is the InChIKey of 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FXGOHCDHRZFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11-12(2)23-17(19-11)13-4-3-5-15(10-13)20-24(21,22)16-8-6-14(18)7-9-16/h3-10,20H,1-2H3.
What are the key properties of 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55864644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).