4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide

C12H16N4O2S — CID 47147013

IUPAC4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide
SMILESN#Cc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1
InChIInChI=1S/C12H16N4O2S/c13-9-11-1-3-12(4-2-11)10-15-5-7-16(8-6-15)19(14,17)18/h1-4H,5-8,10H2,(H2,14,17,18)
InChIKeyDQOJZLAGYKSJAB-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.12
Rot. Bonds3

About 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide

4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide (PubChem CID 47147013) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide
PubChem CID47147013
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide
SMILESN#Cc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1
InChIInChI=1S/C12H16N4O2S/c13-9-11-1-3-12(4-2-11)10-15-5-7-16(8-6-15)19(14,17)18/h1-4H,5-8,10H2,(H2,14,17,18)
InChIKeyDQOJZLAGYKSJAB-UHFFFAOYSA-N
XLogP-0.12
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]benzonitrile
CID 134017714
4-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32717171
4-[(4-oxopiperidin-1-yl)methyl]benzonitrile
CID 10921862
4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 27218772
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetic acid
CID 43396853
4-[[4-[(3,4-dichlorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 56581944
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
4-[[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8800456
4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26545215
4-[(1,1-dimethyl-1,4-thiazinan-4-yl)methyl]benzonitrile
CID 131976859
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
CID 134043084
4-[[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55871400

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide (CID 47147013) is 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide is N#Cc1ccc(CN2CCN(S(N)(=O)=O)CC2)cc1.
What is the InChIKey of 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide?
The InChIKey is DQOJZLAGYKSJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c13-9-11-1-3-12(4-2-11)10-15-5-7-16(8-6-15)19(14,17)18/h1-4H,5-8,10H2,(H2,14,17,18).
What are the key properties of 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide?
4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyanophenyl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 47147013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).