N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide

C11H17ClN2O4S2 — CID 83170984

IUPACN-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-19(15,16)11-5-3-4-10(12)9(11)8-13-6-7-14-20(2,17)18/h3-5,13-14H,6-8H2,1-2H3
InChIKeyMOMMBMNOAGFJKB-UHFFFAOYSA-N
MW340.85 g/mol
LogP0.38
Rot. Bonds7

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

N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 83170984) has the molecular formula C11H17ClN2O4S2 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
PubChem CID83170984
Molecular FormulaC11H17ClN2O4S2
Molecular Weight340.85 g/mol
Exact Mass340.03
IUPAC NameN-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-19(15,16)11-5-3-4-10(12)9(11)8-13-6-7-14-20(2,17)18/h3-5,13-14H,6-8H2,1-2H3
InChIKeyMOMMBMNOAGFJKB-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]ethanesulfonamide
CID 83170434
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
CID 102674823
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide
CID 113235534
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 83170748
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732
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]-3-(2-methylpropoxy)propan-1-amine
CID 83169413

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide (CID 83170984) is N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is MOMMBMNOAGFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S2/c1-19(15,16)11-5-3-4-10(12)9(11)8-13-6-7-14-20(2,17)18/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide 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 N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 83170984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).