2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide

C12H17ClN2O4S — CID 81175101

IUPAC2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O4S/c1-8(6-19-2)15-12(16)7-20(17,18)11-4-3-9(13)5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyRBOHZYUGUOWZFP-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.85
Rot. Bonds6

About 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide

2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 81175101) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID81175101
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O4S/c1-8(6-19-2)15-12(16)7-20(17,18)11-4-3-9(13)5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyRBOHZYUGUOWZFP-UHFFFAOYSA-N
XLogP0.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 47218635
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 81180693
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309469
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
5-chloro-2-(3-methoxypropylsulfonyl)aniline
CID 81174746
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
5-chloro-2-(2-methylpropylsulfonyl)aniline
CID 81175352
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide (CID 81175101) is 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is RBOHZYUGUOWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(6-19-2)15-12(16)7-20(17,18)11-4-3-9(13)5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 320.80 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 81175101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).