4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide

C11H17N3O2S — CID 68665120

IUPAC4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C[C@@H]2CNCCN2)cc1
InChIInChI=1S/C11H17N3O2S/c12-17(15,16)11-3-1-9(2-4-11)7-10-8-13-5-6-14-10/h1-4,10,13-14H,5-8H2,(H2,12,15,16)/t10-/m1/s1
InChIKeyNVSMICWHJXSJSU-SNVBAGLBSA-N
MW255.34 g/mol
LogP-0.56
Rot. Bonds3

About 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide

4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide (PubChem CID 68665120) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
PubChem CID68665120
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C[C@@H]2CNCCN2)cc1
InChIInChI=1S/C11H17N3O2S/c12-17(15,16)11-3-1-9(2-4-11)7-10-8-13-5-6-14-10/h1-4,10,13-14H,5-8H2,(H2,12,15,16)/t10-/m1/s1
InChIKeyNVSMICWHJXSJSU-SNVBAGLBSA-N
XLogP-0.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
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[4-[[(2R)-piperazin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87722775
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(3R)-3-[(4-sulfamoylphenyl)methyl]piperazine-1-carboxylic acid
CID 68664807
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 116825316
2-benzyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
CID 59891255
2-methyl-5-(piperazin-2-ylmethyl)phenol
CID 22342761
(2S)-2-benzyl-1,4-diazocane
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acetic acid;(2S)-2-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 173102322

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide (CID 68665120) is 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C[C@@H]2CNCCN2)cc1.
What is the InChIKey of 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide?
The InChIKey is NVSMICWHJXSJSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-17(15,16)11-3-1-9(2-4-11)7-10-8-13-5-6-14-10/h1-4,10,13-14H,5-8H2,(H2,12,15,16)/t10-/m1/s1.
What are the key properties of 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide?
4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 68665120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).