2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide

C10H15ClN2O4S2 — CID 83170434

IUPAC2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCS(N)(=O)=O
InChIInChI=1S/C10H15ClN2O4S2/c1-18(14,15)10-4-2-3-9(11)8(10)7-13-5-6-19(12,16)17/h2-4,13H,5-7H2,1H3,(H2,12,16,17)
InChIKeyMKXHKZAEMLXZQQ-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.12
Rot. Bonds6

About 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide

2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide (PubChem CID 83170434) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
PubChem CID83170434
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCS(N)(=O)=O
InChIInChI=1S/C10H15ClN2O4S2/c1-18(14,15)10-4-2-3-9(11)8(10)7-13-5-6-19(12,16)17/h2-4,13H,5-7H2,1H3,(H2,12,16,17)
InChIKeyMKXHKZAEMLXZQQ-UHFFFAOYSA-N
XLogP0.12
TPSA106.33 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 ≤ 50.12
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-methylethanesulfonamide
CID 102674823
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 83170748
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]-1-(1,3-thiazol-5-yl)methanamine
CID 104589925
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 104589883
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide (CID 83170434) is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide is CS(=O)(=O)c1cccc(Cl)c1CNCCS(N)(=O)=O.
What is the InChIKey of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide?
The InChIKey is MKXHKZAEMLXZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-18(14,15)10-4-2-3-9(11)8(10)7-13-5-6-19(12,16)17/h2-4,13H,5-7H2,1H3,(H2,12,16,17).
What are the key properties of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide?
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide has a molecular weight of 326.83 g/mol, XLogP of 0.12, 6 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]ethanesulfonamide is sourced from PubChem (CID 83170434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).