N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H18N2O3S — CID 7436912

IUPACN-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-13-18(14(2)23-19-13)24(21,22)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,1-2H3
InChIKeyQVEHUCKENYWTAI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.36
Rot. Bonds5

About N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 7436912) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID7436912
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-13-18(14(2)23-19-13)24(21,22)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,1-2H3
InChIKeyQVEHUCKENYWTAI-UHFFFAOYSA-N
XLogP3.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 7436912) is N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QVEHUCKENYWTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-19-13)24(21,22)20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,1-2H3.
What are the key properties of N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 7436912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).