4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

C16H24N4O2S — CID 110350392

IUPAC4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCc1ccc(C(C#N)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H24N4O2S/c1-4-14-5-7-15(8-6-14)16(13-17)19-9-11-20(12-10-19)23(21,22)18(2)3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyKJZZJZYEYCPVPQ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.24
Rot. Bonds5

About 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide

4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 110350392) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID110350392
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCCc1ccc(C(C#N)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C16H24N4O2S/c1-4-14-5-7-15(8-6-14)16(13-17)19-9-11-20(12-10-19)23(21,22)18(2)3/h5-8,16H,4,9-12H2,1-3H3
InChIKeyKJZZJZYEYCPVPQ-UHFFFAOYSA-N
XLogP1.24
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide (CID 110350392) is 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is CCc1ccc(C(C#N)N2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is KJZZJZYEYCPVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-4-14-5-7-15(8-6-14)16(13-17)19-9-11-20(12-10-19)23(21,22)18(2)3/h5-8,16H,4,9-12H2,1-3H3.
What are the key properties of 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyano-(4-ethylphenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110350392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).