N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide

C11H17Cl2N3O4S2 — CID 113071993

IUPACN-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
SMILESCN(C)S(=O)(=O)NCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H17Cl2N3O4S2/c1-15(2)22(19,20)14-6-7-16(21(3,17)18)11-8-9(12)4-5-10(11)13/h4-5,8,14H,6-7H2,1-3H3
InChIKeyIUHRNSJMBHDATC-UHFFFAOYSA-N
MW390.31 g/mol
LogP1.16
Rot. Bonds7

About N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide

N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide (PubChem CID 113071993) has the molecular formula C11H17Cl2N3O4S2 and a molecular weight of 390.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
PubChem CID113071993
Molecular FormulaC11H17Cl2N3O4S2
Molecular Weight390.31 g/mol
Exact Mass389.00
IUPAC NameN-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
SMILESCN(C)S(=O)(=O)NCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H17Cl2N3O4S2/c1-15(2)22(19,20)14-6-7-16(21(3,17)18)11-8-9(12)4-5-10(11)13/h4-5,8,14H,6-7H2,1-3H3
InChIKeyIUHRNSJMBHDATC-UHFFFAOYSA-N
XLogP1.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113069972
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide (CID 113071993) is N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide is CN(C)S(=O)(=O)NCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
The InChIKey is IUHRNSJMBHDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O4S2/c1-15(2)22(19,20)14-6-7-16(21(3,17)18)11-8-9(12)4-5-10(11)13/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide?
N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide has a molecular weight of 390.31 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 113071993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).