4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid

C19H19N3O4S — CID 22674223

IUPAC4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cccc3ccn(S(=O)(=O)c4ccccc4)c23)CC1
InChIInChI=1S/C19H19N3O4S/c23-19(24)21-13-11-20(12-14-21)17-8-4-5-15-9-10-22(18(15)17)27(25,26)16-6-2-1-3-7-16/h1-10H,11-14H2,(H,23,24)
InChIKeyNXRPTETYXSDGOK-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.68
Rot. Bonds3

About 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid

4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid (PubChem CID 22674223) has the molecular formula C19H19N3O4S and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid
PubChem CID22674223
Molecular FormulaC19H19N3O4S
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cccc3ccn(S(=O)(=O)c4ccccc4)c23)CC1
InChIInChI=1S/C19H19N3O4S/c23-19(24)21-13-11-20(12-14-21)17-8-4-5-15-9-10-22(18(15)17)27(25,26)16-6-2-1-3-7-16/h1-10H,11-14H2,(H,23,24)
InChIKeyNXRPTETYXSDGOK-UHFFFAOYSA-N
XLogP2.68
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-7-bromoindole
CID 46738223
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
trans-(1R,2R)-2-[1-(4-methylphenyl)sulfonylindol-7-yl]cyclopropane-1-carboxylic acid
CID 146460863
4-(2,3-diaminophenyl)piperazine-1-carboxylic acid
CID 141138614
1-(benzenesulfonyl)-7-bromopyrrolo[2,3-c]pyridine
CID 164886533
4-[1-(4-acetamidophenyl)sulfonylindol-5-yl]piperazine-1-carboxylic acid
CID 22174836
3-[1-(benzenesulfonyl)indol-7-yl]oxypropan-1-amine
CID 69368603
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
1-[1-(4-methylphenyl)sulfonylindol-6-yl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid
CID 69055668
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid (CID 22674223) is 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2cccc3ccn(S(=O)(=O)c4ccccc4)c23)CC1.
What is the InChIKey of 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid?
The InChIKey is NXRPTETYXSDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-19(24)21-13-11-20(12-14-21)17-8-4-5-15-9-10-22(18(15)17)27(25,26)16-6-2-1-3-7-16/h1-10H,11-14H2,(H,23,24).
What are the key properties of 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid?
4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid has a molecular weight of 385.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)indol-7-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22674223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).