4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C20H20N4O4S — CID 164610800

IUPAC4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H20N4O4S/c21-29(27,28)16-7-5-14(6-8-16)19(25)23-9-11-24(12-10-23)20(26)18-13-15-3-1-2-4-17(15)22-18/h1-8,13,22H,9-12H2,(H2,21,27,28)
InChIKeyFLDRVAURZLJRDX-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.41
Rot. Bonds3

About 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164610800) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164610800
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H20N4O4S/c21-29(27,28)16-7-5-14(6-8-16)19(25)23-9-11-24(12-10-23)20(26)18-13-15-3-1-2-4-17(15)22-18/h1-8,13,22H,9-12H2,(H2,21,27,28)
InChIKeyFLDRVAURZLJRDX-UHFFFAOYSA-N
XLogP1.41
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164610800) is 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is FLDRVAURZLJRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c21-29(27,28)16-7-5-14(6-8-16)19(25)23-9-11-24(12-10-23)20(26)18-13-15-3-1-2-4-17(15)22-18/h1-8,13,22H,9-12H2,(H2,21,27,28).
What are the key properties of 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164610800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).