N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide

C12H18ClN3O3S — CID 113059573

IUPACN-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-10(17)16(12-6-4-5-11(13)9-12)8-7-14-20(18,19)15(2)3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyCCBRAVKSHANMPK-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.09
Rot. Bonds6

About N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide

N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide (PubChem CID 113059573) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
PubChem CID113059573
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-10(17)16(12-6-4-5-11(13)9-12)8-7-14-20(18,19)15(2)3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyCCBRAVKSHANMPK-UHFFFAOYSA-N
XLogP1.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
CID 104700865
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide (CID 113059573) is N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)N(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The InChIKey is CCBRAVKSHANMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-10(17)16(12-6-4-5-11(13)9-12)8-7-14-20(18,19)15(2)3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide has a molecular weight of 319.81 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide is sourced from PubChem (CID 113059573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).