2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide

C11H15ClN2O3S — CID 2987852

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-8(11(15)13-2)14(18(3,16)17)10-6-4-5-9(12)7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyVKSMMJXFJOHDHU-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.24
Rot. Bonds4

About 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide

2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 2987852) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID2987852
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C11H15ClN2O3S/c1-8(11(15)13-2)14(18(3,16)17)10-6-4-5-9(12)7-10/h4-8H,1-3H3,(H,13,15)
InChIKeyVKSMMJXFJOHDHU-UHFFFAOYSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoate
CID 7393700
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133168887
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 28633347

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide (CID 2987852) is 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide is CNC(=O)C(C)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is VKSMMJXFJOHDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-8(11(15)13-2)14(18(3,16)17)10-6-4-5-9(12)7-10/h4-8H,1-3H3,(H,13,15).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 290.77 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 2987852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).