2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C23H22N4O5S — CID 17256523

IUPAC2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22N4O5S/c28-23(26-16-14-25(15-17-26)18-8-2-1-3-9-18)19-10-4-5-11-20(19)24-33(31,32)22-13-7-6-12-21(22)27(29)30/h1-13,24H,14-17H2
InChIKeyBIBWYVVJAMGVDY-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.36
Rot. Bonds6

About 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 17256523) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID17256523
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22N4O5S/c28-23(26-16-14-25(15-17-26)18-8-2-1-3-9-18)19-10-4-5-11-20(19)24-33(31,32)22-13-7-6-12-21(22)27(29)30/h1-13,24H,14-17H2
InChIKeyBIBWYVVJAMGVDY-UHFFFAOYSA-N
XLogP3.36
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 21369279
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2-[[3-[(2-nitrophenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid
CID 4830628
2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17256670
N-(2-nitrophenyl)-4-phenylpiperazine-1-carbothioamide
CID 23908897
N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
CID 1118418
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 151936086
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
4-chloro-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 39556509

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 17256523) is 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is BIBWYVVJAMGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c28-23(26-16-14-25(15-17-26)18-8-2-1-3-9-18)19-10-4-5-11-20(19)24-33(31,32)22-13-7-6-12-21(22)27(29)30/h1-13,24H,14-17H2.
What are the key properties of 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 466.52 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 17256523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).