4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid

C17H19N3O4S — CID 155045949

IUPAC4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C17H19N3O4S/c21-17(22)20-12-10-19(11-13-20)15-6-8-16(9-7-15)25(23,24)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H,21,22)
InChIKeyXIEUGPYMGLAMOS-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.29
Rot. Bonds4

About 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid

4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid (PubChem CID 155045949) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
PubChem CID155045949
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C17H19N3O4S/c21-17(22)20-12-10-19(11-13-20)15-6-8-16(9-7-15)25(23,24)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H,21,22)
InChIKeyXIEUGPYMGLAMOS-UHFFFAOYSA-N
XLogP2.29
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
4-(4-methylsulfonylphenyl)piperazine-1-carboxylic acid
CID 141113101
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-chloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112981742
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide
CID 135315096
4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 169371487
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
CID 110369728
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712

Frequently Asked Questions

What is the IUPAC name of 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid (CID 155045949) is 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid?
The InChIKey is XIEUGPYMGLAMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-17(22)20-12-10-19(11-13-20)15-6-8-16(9-7-15)25(23,24)18-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H,21,22).
What are the key properties of 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid?
4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 155045949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).