2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide

C11H15ClN2O3S — CID 846764

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-13(2)11(15)8-14(18(3,16)17)10-6-4-5-9(12)7-10/h4-7H,8H2,1-3H3
InChIKeyKIVKVLNKAAOUAT-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.19
Rot. Bonds4

About 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide

2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide (PubChem CID 846764) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
PubChem CID846764
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-13(2)11(15)8-14(18(3,16)17)10-6-4-5-9(12)7-10/h4-7H,8H2,1-3H3
InChIKeyKIVKVLNKAAOUAT-UHFFFAOYSA-N
XLogP1.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
propan-2-yl 2-(3-chloro-N-methylsulfonylanilino)acetate
CID 50890248
ethyl 4-[2-(3-chloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1143028
2-[3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]-N,N-dimethylacetamide
CID 19260298
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
CID 19259341
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
(2R)-2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100707254
(2R)-2-[benzyl-[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100641635

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide (CID 846764) is 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide is CN(C)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
The InChIKey is KIVKVLNKAAOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-13(2)11(15)8-14(18(3,16)17)10-6-4-5-9(12)7-10/h4-7H,8H2,1-3H3.
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide?
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide has a molecular weight of 290.77 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 846764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).