(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide

C11H15ClN2O4S — CID 91382068

IUPAC(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide
SMILESCON(C)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O4S/c1-8(14(2)18-3)11(15)13-19(16,17)10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyKUCNSLRXRXPNEF-QMMMGPOBSA-N
MW306.77 g/mol
LogP1.03
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide

(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide (PubChem CID 91382068) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide
PubChem CID91382068
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide
SMILESCON(C)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O4S/c1-8(14(2)18-3)11(15)13-19(16,17)10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)/t8-/m0/s1
InChIKeyKUCNSLRXRXPNEF-QMMMGPOBSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
methyl (E)-2-(4-chlorophenyl)sulfonyl-3-(dimethylamino)prop-2-enoate
CID 75466392
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390
N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
CID 69346648
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721
methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoate
CID 2765031
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide (CID 91382068) is (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide is CON(C)[C@@H](C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide?
The InChIKey is KUCNSLRXRXPNEF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-8(14(2)18-3)11(15)13-19(16,17)10-6-4-9(12)5-7-10/h4-8H,1-3H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide?
(2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide has a molecular weight of 306.77 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)sulfonyl-2-[methoxy(methyl)amino]propanamide is sourced from PubChem (CID 91382068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).