2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide

C10H15ClN2O4S2 — CID 62656822

IUPAC2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O4S2/c1-12-5-6-13-19(16,17)10-7-8(18(2,14)15)3-4-9(10)11/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyRMGUPMXZHQICRG-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.24
Rot. Bonds6

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

2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide (PubChem CID 62656822) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
PubChem CID62656822
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
SMILESCNCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O4S2/c1-12-5-6-13-19(16,17)10-7-8(18(2,14)15)3-4-9(10)11/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyRMGUPMXZHQICRG-UHFFFAOYSA-N
XLogP0.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(methylamino)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-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
CID 134043562
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 103836927
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
2-chloro-N-[(2S)-5-methylhexan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 35295404
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide (CID 62656822) is 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide is CNCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
The InChIKey is RMGUPMXZHQICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-12-5-6-13-19(16,17)10-7-8(18(2,14)15)3-4-9(10)11/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide?
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide has a molecular weight of 326.83 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 62656822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).