2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide

C12H15N3O3S — CID 106833125

IUPAC2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C(N)=O)ccc1C#N
InChIInChI=1S/C12H15N3O3S/c1-8-6-10(5-4-9(8)7-13)19(17,18)15-12(2,3)11(14)16/h4-6,15H,1-3H3,(H2,14,16)
InChIKeyCPVVSWCWSFUORL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.41
Rot. Bonds4

About 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide

2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide (PubChem CID 106833125) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide
PubChem CID106833125
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C(N)=O)ccc1C#N
InChIInChI=1S/C12H15N3O3S/c1-8-6-10(5-4-9(8)7-13)19(17,18)15-12(2,3)11(14)16/h4-6,15H,1-3H3,(H2,14,16)
InChIKeyCPVVSWCWSFUORL-UHFFFAOYSA-N
XLogP0.41
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919854
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-(1-aminoethyl)-N-tert-butyl-3-methylbenzenesulfonamide;N-tert-butyl-4-cyano-3-methylbenzenesulfonamide
CID 161132732
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
4-cyano-N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 106833366
4-cyano-N-(2-hydroxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 106833352
methyl 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-2-methylpropanoate
CID 47034929
ethyl 2-[(4-cyano-3-methylphenyl)sulfonylamino]propanoate
CID 106833128
N-(2-aminoethyl)-4-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120998868
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407
4-cyano-3-methyl-N-prop-2-ynylbenzenesulfonamide
CID 106832941
5-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962395

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide (CID 106833125) is 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide is Cc1cc(S(=O)(=O)NC(C)(C)C(N)=O)ccc1C#N.
What is the InChIKey of 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide?
The InChIKey is CPVVSWCWSFUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-6-10(5-4-9(8)7-13)19(17,18)15-12(2,3)11(14)16/h4-6,15H,1-3H3,(H2,14,16).
What are the key properties of 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide?
2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide has a molecular weight of 281.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-methylphenyl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 106833125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).