4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride

C11H16Cl2N2O3S — CID 119786700

IUPAC4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
SMILESCC(CS(C)(=O)=O)NC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C11H15ClN2O3S.ClH/c1-7(6-18(2,16)17)14-11(15)9-4-3-8(13)5-10(9)12;/h3-5,7H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyKXIQNEKCWGDZII-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride

4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride (PubChem CID 119786700) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
PubChem CID119786700
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
SMILESCC(CS(C)(=O)=O)NC(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C11H15ClN2O3S.ClH/c1-7(6-18(2,16)17)14-11(15)9-4-3-8(13)5-10(9)12;/h3-5,7H,6,13H2,1-2H3,(H,14,15);1H
InChIKeyKXIQNEKCWGDZII-UHFFFAOYSA-N
XLogP1.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851476
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CID 114923822
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64642824
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-hydrazinyl-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 113400327
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630405
2-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 107200617
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride (CID 119786700) is 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride is CC(CS(C)(=O)=O)NC(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
The InChIKey is KXIQNEKCWGDZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S.ClH/c1-7(6-18(2,16)17)14-11(15)9-4-3-8(13)5-10(9)12;/h3-5,7H,6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride has a molecular weight of 327.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119786700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).