4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide

C18H21N3O3S — CID 134817795

IUPAC4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
InChIKeyPUFUKRGYJIGJDK-MRXNPFEDSA-N
MW359.45 g/mol
LogP0.99
Rot. Bonds4

About 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide

4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide (PubChem CID 134817795) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide
PubChem CID134817795
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
InChIKeyPUFUKRGYJIGJDK-MRXNPFEDSA-N
XLogP0.99
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide (CID 134817795) is 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is PUFUKRGYJIGJDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide?
4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-benzylpiperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 134817795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).