1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide

C15H14Cl2FNO2S — CID 56512863

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO2S/c1-2-19(13-6-4-12(18)5-7-13)22(20,21)10-11-3-8-14(16)15(17)9-11/h3-9H,2,10H2,1H3
InChIKeyOVOQCSPRDNYAFM-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.49
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide

1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 56512863) has the molecular formula C15H14Cl2FNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
PubChem CID56512863
Molecular FormulaC15H14Cl2FNO2S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO2S/c1-2-19(13-6-4-12(18)5-7-13)22(20,21)10-11-3-8-14(16)15(17)9-11/h3-9H,2,10H2,1H3
InChIKeyOVOQCSPRDNYAFM-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 56581726
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 56582136
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
1-(3,4-dichlorophenyl)-N-methyl-N-(4-methylpentan-2-yl)methanesulfonamide
CID 56582138
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
3,4-dichloro-N-ethyl-N-methylaniline
CID 59726249
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 43899710
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-[(3,4-dichlorophenyl)methyl-[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 132678516

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide (CID 56512863) is 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is OVOQCSPRDNYAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2S/c1-2-19(13-6-4-12(18)5-7-13)22(20,21)10-11-3-8-14(16)15(17)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide?
1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide has a molecular weight of 362.25 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 56512863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).