2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide

C11H17ClN2O4S2 — CID 102674823

IUPAC2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-13-20(17,18)7-6-14-8-9-10(12)4-3-5-11(9)19(2,15)16/h3-5,13-14H,6-8H2,1-2H3
InChIKeyDLEHOFKXLHGFDJ-UHFFFAOYSA-N
MW340.85 g/mol
LogP0.38
Rot. Bonds7

About 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide

2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide (PubChem CID 102674823) has the molecular formula C11H17ClN2O4S2 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
PubChem CID102674823
Molecular FormulaC11H17ClN2O4S2
Molecular Weight340.85 g/mol
Exact Mass340.03
IUPAC Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-13-20(17,18)7-6-14-8-9-10(12)4-3-5-11(9)19(2,15)16/h3-5,13-14H,6-8H2,1-2H3
InChIKeyDLEHOFKXLHGFDJ-UHFFFAOYSA-N
XLogP0.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 83170748
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 83169424
2-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]prop-2-en-1-amine
CID 104589766
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 83169413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide (CID 102674823) is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNCc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide?
The InChIKey is DLEHOFKXLHGFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S2/c1-13-20(17,18)7-6-14-8-9-10(12)4-3-5-11(9)19(2,15)16/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide?
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide has a molecular weight of 340.85 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide is sourced from PubChem (CID 102674823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).