3-(1H-indole-6-carbonyl)benzenesulfonamide

C30H24N4O6S2 — CID 66900230

IUPAC3-(1H-indole-6-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)c2ccc3cc[nH]c3c2)c1.NS(=O)(=O)c1cccc(C(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/2C15H12N2O3S/c2*16-21(19,20)13-3-1-2-11(8-13)15(18)12-5-4-10-6-7-17-14(10)9-12/h2*1-9,17H,(H2,16,19,20)
InChIKeyKUCPUHWMDLSYRT-UHFFFAOYSA-N
MW600.68 g/mol
LogP4.09
Rot. Bonds6

About 3-(1H-indole-6-carbonyl)benzenesulfonamide

3-(1H-indole-6-carbonyl)benzenesulfonamide (PubChem CID 66900230) has the molecular formula C30H24N4O6S2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 3-(1H-indole-6-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1H-indole-6-carbonyl)benzenesulfonamide
PubChem CID66900230
Molecular FormulaC30H24N4O6S2
Molecular Weight600.68 g/mol
Exact Mass600.11
IUPAC Name3-(1H-indole-6-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)c2ccc3cc[nH]c3c2)c1.NS(=O)(=O)c1cccc(C(=O)c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/2C15H12N2O3S/c2*16-21(19,20)13-3-1-2-11(8-13)15(18)12-5-4-10-6-7-17-14(10)9-12/h2*1-9,17H,(H2,16,19,20)
InChIKeyKUCPUHWMDLSYRT-UHFFFAOYSA-N
XLogP4.09
TPSA186.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.68
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indole-6-carbonyl)benzenesulfonamide?
The IUPAC name of 3-(1H-indole-6-carbonyl)benzenesulfonamide (CID 66900230) is 3-(1H-indole-6-carbonyl)benzenesulfonamide.
What is the SMILES notation for 3-(1H-indole-6-carbonyl)benzenesulfonamide?
The canonical SMILES for 3-(1H-indole-6-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)c2ccc3cc[nH]c3c2)c1.NS(=O)(=O)c1cccc(C(=O)c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 3-(1H-indole-6-carbonyl)benzenesulfonamide?
The InChIKey is KUCPUHWMDLSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N2O3S/c2*16-21(19,20)13-3-1-2-11(8-13)15(18)12-5-4-10-6-7-17-14(10)9-12/h2*1-9,17H,(H2,16,19,20).
What are the key properties of 3-(1H-indole-6-carbonyl)benzenesulfonamide?
3-(1H-indole-6-carbonyl)benzenesulfonamide has a molecular weight of 600.68 g/mol, XLogP of 4.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indole-6-carbonyl)benzenesulfonamide is sourced from PubChem (CID 66900230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).