(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide

C10H13ClN2O3S — CID 7393668

IUPAC(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(N)=O)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H13ClN2O3S/c1-7(10(12)14)13(17(2,15)16)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H2,12,14)/t7-/m1/s1
InChIKeyORXUKDPOHMJPPW-SSDOTTSWSA-N
MW276.75 g/mol
LogP0.98
Rot. Bonds4

About (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide

(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 7393668) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
PubChem CID7393668
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(N)=O)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H13ClN2O3S/c1-7(10(12)14)13(17(2,15)16)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H2,12,14)/t7-/m1/s1
InChIKeyORXUKDPOHMJPPW-SSDOTTSWSA-N
XLogP0.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoate
CID 7393700
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
2-(3-chloro-4-methyl-N-methylsulfonylanilino)propanamide
CID 50946272
2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 46771727
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
ethyl 4-[(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoyl]piperazine-1-carboxylate
CID 8991491
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
CID 41466614
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]propanamide
CID 125064726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide (CID 7393668) is (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide is C[C@H](C(N)=O)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is ORXUKDPOHMJPPW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-7(10(12)14)13(17(2,15)16)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H2,12,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide?
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 276.75 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 7393668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).