N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide

C11H17ClN2O4S2 — CID 113067090

IUPACN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-19(15,16)13-7-8-14(20(2,17)18)9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyOSUQJIQZRHVEFC-UHFFFAOYSA-N
MW340.85 g/mol
LogP0.65
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide

N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide (PubChem CID 113067090) has the molecular formula C11H17ClN2O4S2 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
PubChem CID113067090
Molecular FormulaC11H17ClN2O4S2
Molecular Weight340.85 g/mol
Exact Mass340.03
IUPAC NameN-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C11H17ClN2O4S2/c1-19(15,16)13-7-8-14(20(2,17)18)9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
InChIKeyOSUQJIQZRHVEFC-UHFFFAOYSA-N
XLogP0.65
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 141436059
N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 71918194
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
CID 113067081
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070
N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]propanamide
CID 113066748

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide (CID 113067090) is N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCN(Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide?
The InChIKey is OSUQJIQZRHVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S2/c1-19(15,16)13-7-8-14(20(2,17)18)9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3.
What are the key properties of N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide?
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide has a molecular weight of 340.85 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 113067090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).