2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine

C15H18Cl2N2O3S — CID 55680416

IUPAC2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
SMILESCc1noc(C)c1CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3S/c1-10-13(11(2)22-18-10)9-19(3)6-7-23(20,21)15-8-12(16)4-5-14(15)17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVDBOYVWXSCSQKV-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.50
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine

2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine (PubChem CID 55680416) has the molecular formula C15H18Cl2N2O3S and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
PubChem CID55680416
Molecular FormulaC15H18Cl2N2O3S
Molecular Weight377.29 g/mol
Exact Mass376.04
IUPAC Name2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
SMILESCc1noc(C)c1CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18Cl2N2O3S/c1-10-13(11(2)22-18-10)9-19(3)6-7-23(20,21)15-8-12(16)4-5-14(15)17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyVDBOYVWXSCSQKV-UHFFFAOYSA-N
XLogP3.50
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine with MolForge

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Related Compounds

4-[[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 16364578
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 18081502
2,5-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 24389746
4-[(3-Chloro-4-fluorophenyl)sulfonylmethyl]-3,5-dimethyl-1,2-oxazole
CID 45825996
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 52244613
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluoro-N-methylbenzenesulfonamide
CID 75523845
1-(4-chloro-2-fluorophenyl)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 132425512
4-[(4-Chlorophenyl)sulfonylmethyl]-3,5-dimethyl-1,2-oxazole
CID 45807230
4-[(2-Chlorophenyl)sulfonylmethyl]-3,5-dimethyl-1,2-oxazole
CID 45825903
4-[(2,5-Dichlorophenyl)sulfonylmethyl]-3,5-dimethyl-1,2-oxazole
CID 45825991
4-{1-[(3-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}-3,5-dimethylisoxazole
CID 46366376
1-(3,5-dimethylisoxazol-4-yl)-N-methyl-N-[4-(methylsulfonyl)benzyl]methanamine
CID 50973795

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine (CID 55680416) is 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine is Cc1noc(C)c1CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
The InChIKey is VDBOYVWXSCSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3S/c1-10-13(11(2)22-18-10)9-19(3)6-7-23(20,21)15-8-12(16)4-5-14(15)17/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine?
2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine has a molecular weight of 377.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 55680416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).