2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate

C11H15ClN2O4S — CID 83209467

IUPAC2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCOC(N)=O
InChIInChI=1S/C11H15ClN2O4S/c1-19(16,17)10-4-2-3-9(12)8(10)7-14-5-6-18-11(13)15/h2-4,14H,5-7H2,1H3,(H2,13,15)
InChIKeyCNBJVONRKIHHBY-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.93
Rot. Bonds6

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

2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate (PubChem CID 83209467) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
PubChem CID83209467
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCOC(N)=O
InChIInChI=1S/C11H15ClN2O4S/c1-19(16,17)10-4-2-3-9(12)8(10)7-14-5-6-18-11(13)15/h2-4,14H,5-7H2,1H3,(H2,13,15)
InChIKeyCNBJVONRKIHHBY-UHFFFAOYSA-N
XLogP0.93
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.93
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-fluorophenyl)methylamino]ethyl carbamate
CID 83211387
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 83170748
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
CID 102674823
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 83169413
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-cyclopropylpropanamide
CID 83167961
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776
2-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]prop-2-en-1-amine
CID 104589766
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
2-[(2-chloro-6-fluorophenyl)methylamino]ethyl acetate
CID 82533014

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate (CID 83209467) is 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate is CS(=O)(=O)c1cccc(Cl)c1CNCCOC(N)=O.
What is the InChIKey of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate?
The InChIKey is CNBJVONRKIHHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-19(16,17)10-4-2-3-9(12)8(10)7-14-5-6-18-11(13)15/h2-4,14H,5-7H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate?
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate has a molecular weight of 306.77 g/mol, XLogP of 0.93, 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]ethyl carbamate is sourced from PubChem (CID 83209467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).