4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide

C11H15ClN2O3S — CID 64642824

IUPAC4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-7(6-18(2,16)17)14-11(15)8-3-4-10(13)9(12)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyJGVJGRSZSNHEHC-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.09
Rot. Bonds4

About 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide

4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide (PubChem CID 64642824) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
PubChem CID64642824
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-7(6-18(2,16)17)14-11(15)8-3-4-10(13)9(12)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyJGVJGRSZSNHEHC-UHFFFAOYSA-N
XLogP1.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.09
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

3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457632
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
methyl (2S)-3-amino-2-[(4-amino-3-chlorobenzoyl)amino]propanoate
CID 68641791
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-chloro-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64642114
2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 64643269
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
CID 46763289
2-amino-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 64643080
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide (CID 64642824) is 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide is CC(CS(C)(=O)=O)NC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide?
The InChIKey is JGVJGRSZSNHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7(6-18(2,16)17)14-11(15)8-3-4-10(13)9(12)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide?
4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide has a molecular weight of 290.77 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide is sourced from PubChem (CID 64642824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).