3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide

C18H22Cl2FN3O2S — CID 91800549

IUPAC3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide
SMILESCN(C)CCN(C)Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H22Cl2FN3O2S/c1-23(2)8-9-24(3)12-13-4-5-14(21)10-18(13)22-27(25,26)15-6-7-16(19)17(20)11-15/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyBCCZCEPFXMMGBX-UHFFFAOYSA-N
MW434.36 g/mol
LogP3.93
Rot. Bonds8

About 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide

3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide (PubChem CID 91800549) has the molecular formula C18H22Cl2FN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide
PubChem CID91800549
Molecular FormulaC18H22Cl2FN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.08
IUPAC Name3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide
SMILESCN(C)CCN(C)Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H22Cl2FN3O2S/c1-23(2)8-9-24(3)12-13-4-5-14(21)10-18(13)22-27(25,26)15-6-7-16(19)17(20)11-15/h4-7,10-11,22H,8-9,12H2,1-3H3
InChIKeyBCCZCEPFXMMGBX-UHFFFAOYSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide 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

1-[(3,4-Dichlorophenyl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
CID 24906059
1-[(3,4-Dichlorophenyl)sulfonyl]-4-[4-fluoro-2-(trifluoromethyl)phenyl]piperazine
CID 24906060
(2R)-1-[(3,4-dichlorophenyl)sulfonyl]-2-methyl-4-[2-(trifluoromethyl)phenyl]piperazine
CID 24906061
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide;hydrochloride
CID 16196917
3,4-dichloro-N-[5-chloro-2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]benzenesulfonamide
CID 91800548
4-chloro-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 4342131
3-chloro-N-(4-(dimethylamino)phenethyl)-4-fluorobenzenesulfonamide
CID 16890424
3-chloro-N-(3-(4-(dimethylamino)phenyl)propyl)-4-fluorobenzenesulfonamide
CID 16890826
2-(N-(2-aminoethyl)-N-(2,4,5-trichlorobenzenesulfonyl))amino-N-(4-chlorocinnamyl)-N-methylbenzylamine
CID 6439511
3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 71730036
3-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzenesulfonamide
CID 71730034
3-chloro-4-fluoro-N-[4-(2-piperidin-1-ylethyl)phenyl]benzenesulfonamide
CID 71730035

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide (CID 91800549) is 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide is CN(C)CCN(C)Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide?
The InChIKey is BCCZCEPFXMMGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2FN3O2S/c1-23(2)8-9-24(3)12-13-4-5-14(21)10-18(13)22-27(25,26)15-6-7-16(19)17(20)11-15/h4-7,10-11,22H,8-9,12H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide?
3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide has a molecular weight of 434.36 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-5-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 91800549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).