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

C11H17ClN2O4S2 — CID 83170984

IUPACN-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)C1=C(C(=CC=C1)Cl)CNCCNS(=O)(=O)C
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
MW340.80 g/mol
LogP0.30
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 340.80 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 Weight340.80 g/mol
Exact Mass340.03
IUPAC NameN-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)C1=C(C(=CC=C1)Cl)CNCCNS(=O)(=O)C
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
XLogP0.30
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity495

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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)C1=C(C(=CC=C1)Cl)CNCCNS(=O)(=O)C.
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 340.80 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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).