N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide

C15H15Cl2FN2O2S — CID 143994567

IUPACN-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCN)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2FN2O2S/c1-23(21,22)20(7-6-19)11-3-4-12(14(17)9-11)10-2-5-13(16)15(18)8-10/h2-5,8-9H,6-7,19H2,1H3
InChIKeyWDNNVAPZWZTPOF-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.52
Rot. Bonds5

About N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide

N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide (PubChem CID 143994567) has the molecular formula C15H15Cl2FN2O2S and a molecular weight of 377.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide
PubChem CID143994567
Molecular FormulaC15H15Cl2FN2O2S
Molecular Weight377.27 g/mol
Exact Mass376.02
IUPAC NameN-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCN)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2FN2O2S/c1-23(21,22)20(7-6-19)11-3-4-12(14(17)9-11)10-2-5-13(16)15(18)8-10/h2-5,8-9H,6-7,19H2,1H3
InChIKeyWDNNVAPZWZTPOF-UHFFFAOYSA-N
XLogP3.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-4-(4-chloro-3-fluorophenyl)-N-methylsulfonylanilino]acetic acid
CID 68618900
1-chloro-4-[2-chloro-4-[cyanomethyl(sulfino)amino]phenyl]-2-fluorobenzene
CID 89072207
N-(2-aminoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 28769971
ethyl N-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]carbamate
CID 113070202
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113144245
N-(cyanomethyl)-N-(3,4-dichlorophenyl)methanesulfonamide
CID 20524760
1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070206
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
CID 28769588

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide (CID 143994567) is N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide is CS(=O)(=O)N(CCN)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide?
The InChIKey is WDNNVAPZWZTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O2S/c1-23(21,22)20(7-6-19)11-3-4-12(14(17)9-11)10-2-5-13(16)15(18)8-10/h2-5,8-9H,6-7,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide?
N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide has a molecular weight of 377.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 143994567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).