N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide

C11H13ClN2O4S — CID 152625962

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1cc(Cl)cc(S(C)(=O)=O)c1)C(N)=O
InChIInChI=1S/C11H13ClN2O4S/c1-6(10(13)15)14-11(16)7-3-8(12)5-9(4-7)19(2,17)18/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyZCNDKRLRASAOBB-LURJTMIESA-N
MW304.76 g/mol
LogP0.35
Rot. Bonds4

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide (PubChem CID 152625962) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.76 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide
PubChem CID152625962
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.76 g/mol
Exact Mass304.03
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1cc(Cl)cc(S(C)(=O)=O)c1)C(N)=O
InChIInChI=1S/C11H13ClN2O4S/c1-6(10(13)15)14-11(16)7-3-8(12)5-9(4-7)19(2,17)18/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1
InChIKeyZCNDKRLRASAOBB-LURJTMIESA-N
XLogP0.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-amino-1-oxopropan-2-yl)-5-methylsulfonylbenzamide
CID 55010113
3-chloro-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-5-(trifluoromethylsulfonyl)benzamide
CID 155676498
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-chloro-5-(trifluoromethylsulfanyl)benzamide
CID 164930642
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877
2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
3-chloro-N-methylidene-5-methylsulfonylbenzamide
CID 166817136
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
3-chloro-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370239
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368353
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041
3-chloro-N-[(1R)-1-[2-(5-methylpyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]-5-methylsulfonylbenzamide;sulfane
CID 158639202

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide (CID 152625962) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide is C[C@H](NC(=O)c1cc(Cl)cc(S(C)(=O)=O)c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide?
The InChIKey is ZCNDKRLRASAOBB-LURJTMIESA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-6(10(13)15)14-11(16)7-3-8(12)5-9(4-7)19(2,17)18/h3-6H,1-2H3,(H2,13,15)(H,14,16)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide has a molecular weight of 304.76 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide is sourced from PubChem (CID 152625962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).