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

C17H15ClN2O3S — CID 110642631

IUPAC3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)c(C)o1
InChIInChI=1S/C17H15ClN2O3S/c1-11-17(19-12(2)23-11)13-6-8-15(9-7-13)20-24(21,22)16-5-3-4-14(18)10-16/h3-10,20H,1-2H3
InChIKeyZKKQKYOVAVIXHN-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.41
Rot. Bonds4

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

3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 110642631) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
PubChem CID110642631
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)c(C)o1
InChIInChI=1S/C17H15ClN2O3S/c1-11-17(19-12(2)23-11)13-6-8-15(9-7-13)20-24(21,22)16-5-3-4-14(18)10-16/h3-10,20H,1-2H3
InChIKeyZKKQKYOVAVIXHN-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

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110417093
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 110417096
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 110421983
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094344
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 110421910
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide (CID 110642631) is 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)c(C)o1.
What is the InChIKey of 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is ZKKQKYOVAVIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11-17(19-12(2)23-11)13-6-8-15(9-7-13)20-24(21,22)16-5-3-4-14(18)10-16/h3-10,20H,1-2H3.
What are the key properties of 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide?
3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-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 3-chloro-N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110642631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).