N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide

C11H18ClN3O4S2 — CID 113069972

IUPACN-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
SMILESCN(C)S(=O)(=O)NCCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C11H18ClN3O4S2/c1-14(2)21(18,19)13-8-9-15(20(3,16)17)11-6-4-10(12)5-7-11/h4-7,13H,8-9H2,1-3H3
InChIKeyMUPFQLMUWITDIX-UHFFFAOYSA-N
MW355.87 g/mol
LogP0.50
Rot. Bonds7

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

N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide (PubChem CID 113069972) has the molecular formula C11H18ClN3O4S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
PubChem CID113069972
Molecular FormulaC11H18ClN3O4S2
Molecular Weight355.87 g/mol
Exact Mass355.04
IUPAC NameN-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
SMILESCN(C)S(=O)(=O)NCCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C11H18ClN3O4S2/c1-14(2)21(18,19)13-8-9-15(20(3,16)17)11-6-4-10(12)5-7-11/h4-7,13H,8-9H2,1-3H3
InChIKeyMUPFQLMUWITDIX-UHFFFAOYSA-N
XLogP0.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113071993
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904
N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
CID 113070952
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113067541
N-[2-[4-[(4-chlorophenyl)methoxy]-N-methylsulfonylanilino]ethyl]acetamide
CID 113071915
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide (CID 113069972) is N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide is CN(C)S(=O)(=O)NCCN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
The InChIKey is MUPFQLMUWITDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O4S2/c1-14(2)21(18,19)13-8-9-15(20(3,16)17)11-6-4-10(12)5-7-11/h4-7,13H,8-9H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide has a molecular weight of 355.87 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 113069972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).