2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide

C17H20Cl2N2O4S2 — CID 55598328

IUPAC2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C17H20Cl2N2O4S2/c1-21(2)16(13-6-4-5-7-14(13)18)11-20-27(24,25)17-10-12(26(3,22)23)8-9-15(17)19/h4-10,16,20H,11H2,1-3H3
InChIKeyXVKBAUNEHKIKSZ-UHFFFAOYSA-N
MW451.40 g/mol
LogP2.98
Rot. Bonds7

About 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide

2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide (PubChem CID 55598328) has the molecular formula C17H20Cl2N2O4S2 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
PubChem CID55598328
Molecular FormulaC17H20Cl2N2O4S2
Molecular Weight451.40 g/mol
Exact Mass450.02
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C17H20Cl2N2O4S2/c1-21(2)16(13-6-4-5-7-14(13)18)11-20-27(24,25)17-10-12(26(3,22)23)8-9-15(17)19/h4-10,16,20H,11H2,1-3H3
InChIKeyXVKBAUNEHKIKSZ-UHFFFAOYSA-N
XLogP2.98
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide 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

N'-[2,4-bis(methylsulfonyl)phenyl]-1-(2-chlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 42927019
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
CID 134043562
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methylpyridine-3-sulfonamide
CID 124890385
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499769
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 55511699
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide (CID 55598328) is 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
The InChIKey is XVKBAUNEHKIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4S2/c1-21(2)16(13-6-4-5-7-14(13)18)11-20-27(24,25)17-10-12(26(3,22)23)8-9-15(17)19/h4-10,16,20H,11H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide has a molecular weight of 451.40 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55598328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).