N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide

C17H21N3O4S2 — CID 110362881

IUPACN-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C17H21N3O4S2/c1-25(21,22)20-12-10-19(11-13-20)16-7-5-6-15(14-16)18-26(23,24)17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3
InChIKeyVNIZRKYZSRZWBC-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.57
Rot. Bonds5

About N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide

N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 110362881) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID110362881
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C17H21N3O4S2/c1-25(21,22)20-12-10-19(11-13-20)16-7-5-6-15(14-16)18-26(23,24)17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3
InChIKeyVNIZRKYZSRZWBC-UHFFFAOYSA-N
XLogP1.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
CID 75370822
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
N-(3-pyrrolidin-1-ylphenyl)-9H-fluorene-2-sulfonamide
CID 1314014

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 110362881) is N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide is CS(=O)(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.
What is the InChIKey of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is VNIZRKYZSRZWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-25(21,22)20-12-10-19(11-13-20)16-7-5-6-15(14-16)18-26(23,24)17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3.
What are the key properties of N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide?
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 395.51 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110362881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).