N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C17H15ClN2O3S — CID 20917416

IUPACN-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)on1
InChIInChI=1S/C17H15ClN2O3S/c1-12-10-17(23-20-12)14-4-8-16(9-5-14)24(21,22)19-11-13-2-6-15(18)7-3-13/h2-10,19H,11H2,1H3
InChIKeySXTWUMGYMZNKOB-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.78
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20917416) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20917416
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)on1
InChIInChI=1S/C17H15ClN2O3S/c1-12-10-17(23-20-12)14-4-8-16(9-5-14)24(21,22)19-11-13-2-6-15(18)7-3-13/h2-10,19H,11H2,1H3
InChIKeySXTWUMGYMZNKOB-UHFFFAOYSA-N
XLogP3.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20917416) is N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)on1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is SXTWUMGYMZNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-12-10-17(23-20-12)14-4-8-16(9-5-14)24(21,22)19-11-13-2-6-15(18)7-3-13/h2-10,19H,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20917416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).