N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide

C12H13ClN2O3S — CID 146125461

IUPACN-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-12(2,3)11(16)15-19(17,18)9-5-4-8(7-14)10(13)6-9/h4-6H,1-3H3,(H,15,16)
InChIKeyUGTNJTKZEXTIBI-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.06
Rot. Bonds2

About N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide

N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide (PubChem CID 146125461) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
PubChem CID146125461
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC NameN-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-12(2,3)11(16)15-19(17,18)9-5-4-8(7-14)10(13)6-9/h4-6H,1-3H3,(H,15,16)
InChIKeyUGTNJTKZEXTIBI-UHFFFAOYSA-N
XLogP2.06
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-2-methylpropanoate
CID 47034929
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 112703641
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833830
(2S)-N-(3-chloro-4-cyanophenyl)sulfonyl-2-ethoxybutanamide
CID 98771742
(2R)-N-(3-chloro-4-cyanophenyl)sulfonyl-4-methoxy-2-methylbutanamide
CID 96563455
methyl (2S)-2-[(3-chloro-4-cyanophenyl)sulfonylamino]propanoate
CID 87040378
N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 129263111
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide (CID 146125461) is N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
The InChIKey is UGTNJTKZEXTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-12(2,3)11(16)15-19(17,18)9-5-4-8(7-14)10(13)6-9/h4-6H,1-3H3,(H,15,16).
What are the key properties of N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide?
N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide has a molecular weight of 300.77 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)sulfonyl-2,2-dimethylpropanamide is sourced from PubChem (CID 146125461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).