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

C17H15ClN2O3S — CID 51228013

IUPACN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15ClN2O3S/c1-20(24(21,22)15-5-3-2-4-6-15)12-17-19-11-16(23-17)13-7-9-14(18)10-8-13/h2-11H,12H2,1H3
InChIKeyNGNQZEBCFDHBPT-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.82
Rot. Bonds5

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

N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 51228013) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID51228013
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15ClN2O3S/c1-20(24(21,22)15-5-3-2-4-6-15)12-17-19-11-16(23-17)13-7-9-14(18)10-8-13/h2-11H,12H2,1H3
InChIKeyNGNQZEBCFDHBPT-UHFFFAOYSA-N
XLogP3.82
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958761
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]acetic acid
CID 43442560
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66185976
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
5-(4-chlorophenyl)-N,N-dimethyl-1,3-oxazol-2-amine
CID 13332314
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
(3R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 51981068
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]-3-methylbutanoic acid
CID 43468615
1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 78963128
2-[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propanoyl-methylamino]propanoic acid
CID 119208866

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide (CID 51228013) is N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide is CN(Cc1ncc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is NGNQZEBCFDHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-20(24(21,22)15-5-3-2-4-6-15)12-17-19-11-16(23-17)13-7-9-14(18)10-8-13/h2-11H,12H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide?
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 51228013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).