4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide

C24H25N3O3S — CID 19838794

IUPAC4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c25-31(29,30)22-13-11-21(12-14-22)24(28)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H2,25,29,30)
InChIKeyAUMNAEBFECYXIP-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.88
Rot. Bonds5

About 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide

4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 19838794) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID19838794
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O3S/c25-31(29,30)22-13-11-21(12-14-22)24(28)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H2,25,29,30)
InChIKeyAUMNAEBFECYXIP-UHFFFAOYSA-N
XLogP2.88
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide (CID 19838794) is 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is AUMNAEBFECYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c25-31(29,30)22-13-11-21(12-14-22)24(28)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H2,25,29,30).
What are the key properties of 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide?
4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 19838794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).