(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

C12H17ClN2O3S — CID 7063279

IUPAC(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-5-6-10(19(17,18)15(3)4)7-11(8)14-12(16)9(2)13/h5-7,9H,1-4H3,(H,14,16)/t9-/m0/s1
InChIKeyYUYQDWSUJMXBHY-VIFPVBQESA-N
MW304.80 g/mol
LogP1.81
Rot. Bonds4

About (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 7063279) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID7063279
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-5-6-10(19(17,18)15(3)4)7-11(8)14-12(16)9(2)13/h5-7,9H,1-4H3,(H,14,16)/t9-/m0/s1
InChIKeyYUYQDWSUJMXBHY-VIFPVBQESA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195
(2S)-2-(azepan-1-ium-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 9391020
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]pentanamide
CID 107569318
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 167781077
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 16523214
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 63678439
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (CID 7063279) is (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is YUYQDWSUJMXBHY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8-5-6-10(19(17,18)15(3)4)7-11(8)14-12(16)9(2)13/h5-7,9H,1-4H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 304.80 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 7063279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).