N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

C24H25N3O3S — CID 2315073

IUPACN-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H25N3O3S/c28-24(27-16-14-26(15-17-27)22-11-5-2-6-12-22)21-10-7-13-23(18-21)31(29,30)25-19-20-8-3-1-4-9-20/h1-13,18,25H,14-17,19H2
InChIKeyTYBJZLOMYZVJGE-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.13
Rot. Bonds6

About N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide

N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 2315073) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID2315073
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H25N3O3S/c28-24(27-16-14-26(15-17-27)22-11-5-2-6-12-22)21-10-7-13-23(18-21)31(29,30)25-19-20-8-3-1-4-9-20/h1-13,18,25H,14-17,19H2
InChIKeyTYBJZLOMYZVJGE-UHFFFAOYSA-N
XLogP3.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide (CID 2315073) is N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is TYBJZLOMYZVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-24(27-16-14-26(15-17-27)22-11-5-2-6-12-22)21-10-7-13-23(18-21)31(29,30)25-19-20-8-3-1-4-9-20/h1-13,18,25H,14-17,19H2.
What are the key properties of N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide?
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2315073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).