N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide

C15H14Cl3NO2S — CID 56513383

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3NO2S/c16-13-4-1-11(2-5-13)7-8-19-22(20,21)10-12-3-6-14(17)15(18)9-12/h1-6,9,19H,7-8,10H2
InChIKeyKQFHKTNFZLBCAA-UHFFFAOYSA-N
MW378.71 g/mol
LogP4.31
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide

N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 56513383) has the molecular formula C15H14Cl3NO2S and a molecular weight of 378.71 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID56513383
Molecular FormulaC15H14Cl3NO2S
Molecular Weight378.71 g/mol
Exact Mass376.98
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3NO2S/c16-13-4-1-11(2-5-13)7-8-19-22(20,21)10-12-3-6-14(17)15(18)9-12/h1-6,9,19H,7-8,10H2
InChIKeyKQFHKTNFZLBCAA-UHFFFAOYSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
1-(3,4-dichlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 56581685
1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 63666784
1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
CID 56581950
1-(3,4-dichlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 56513128
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
1-(3-chloro-4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 120875993
1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890660

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide (CID 56513383) is N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is KQFHKTNFZLBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2S/c16-13-4-1-11(2-5-13)7-8-19-22(20,21)10-12-3-6-14(17)15(18)9-12/h1-6,9,19H,7-8,10H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide has a molecular weight of 378.71 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 56513383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).