4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide

C15H22N2O2S — CID 106833012

IUPAC4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)CC(C)C)ccc1C#N
InChIInChI=1S/C15H22N2O2S/c1-11(2)8-13(4)17(5)20(18,19)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8H2,1-5H3
InChIKeyGHBYLZITTZCSAC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.92
Rot. Bonds5

About 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide

4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106833012) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID106833012
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)CC(C)C)ccc1C#N
InChIInChI=1S/C15H22N2O2S/c1-11(2)8-13(4)17(5)20(18,19)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8H2,1-5H3
InChIKeyGHBYLZITTZCSAC-UHFFFAOYSA-N
XLogP2.92
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106833094
2-[butan-2-yl-(4-cyano-3-methylphenyl)sulfonylamino]acetic acid
CID 106831548
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
4-cyano-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 106919760
N-(1-amino-4-methylpentan-2-yl)-4-cyano-3-methylbenzenesulfonamide
CID 106920558
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
4-(3-hydroxyprop-1-ynyl)-N,3-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 60823554
methyl 2-[(4-cyano-3-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 106833054
4-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzenesulfonamide
CID 61455678
4-[(4-cyano-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 106831543

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 106833012) is 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C(C)CC(C)C)ccc1C#N.
What is the InChIKey of 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is GHBYLZITTZCSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(2)8-13(4)17(5)20(18,19)15-7-6-14(10-16)12(3)9-15/h6-7,9,11,13H,8H2,1-5H3.
What are the key properties of 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,3-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106833012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).