(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide

C13H15ClN2O4S — CID 96563455

IUPAC(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide
SMILESCOCC[C@@H](C)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H15ClN2O4S/c1-9(5-6-20-2)13(17)16-21(18,19)11-4-3-10(8-15)12(14)7-11/h3-4,7,9H,5-6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyOXINCTRMGSNBSU-SECBINFHSA-N
MW330.79 g/mol
LogP1.69
Rot. Bonds6

About (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide

(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide (PubChem CID 96563455) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide
PubChem CID96563455
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide
SMILESCOCC[C@@H](C)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H15ClN2O4S/c1-9(5-6-20-2)13(17)16-21(18,19)11-4-3-10(8-15)12(14)7-11/h3-4,7,9H,5-6H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyOXINCTRMGSNBSU-SECBINFHSA-N
XLogP1.69
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-chloro-4-cyanophenyl)sulfonyl-2-ethoxybutanamide
CID 98771742
methyl (2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]propanoate
CID 87040378
N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 146125461
3-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697592
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 115755311
methyl 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-2-methylpropanoate
CID 47034929
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-2-methylbutanamide
CID 94188912
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-4-cyano-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 112686588
3-chloro-4-cyano-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 112690747

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide?
The IUPAC name of (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide (CID 96563455) is (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide is COCC[C@@H](C)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide?
The InChIKey is OXINCTRMGSNBSU-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN2O4S/c1-9(5-6-20-2)13(17)16-21(18,19)11-4-3-10(8-15)12(14)7-11/h3-4,7,9H,5-6H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide?
(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide has a molecular weight of 330.79 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide is sourced from PubChem (CID 96563455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).