(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide

C13H11N3O3S — CID 23647616

IUPAC(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C13H11N3O3S/c14-20(18,19)9-3-4-12-10(7-9)11(13(17)16-12)6-8-2-1-5-15-8/h1-7,15H,(H,16,17)(H2,14,18,19)/b11-6-
InChIKeyXWIFOKQIVVOLAA-WDZFZDKYSA-N
MW289.32 g/mol
LogP1.15
Rot. Bonds2

About (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide

(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide (PubChem CID 23647616) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide
PubChem CID23647616
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C13H11N3O3S/c14-20(18,19)9-3-4-12-10(7-9)11(13(17)16-12)6-8-2-1-5-15-8/h1-7,15H,(H,16,17)(H2,14,18,19)/b11-6-
InChIKeyXWIFOKQIVVOLAA-WDZFZDKYSA-N
XLogP1.15
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

SU6656
CID 5312137
Oxsi-2
CID 6419747
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-5-yl]acetamide
CID 11323104
3-Substituted indolin-2-one 11c
CID 5329140
Indolin-2-one deriv. 4c
CID 5329156
Indolyl quinolinone deriv. 16
CID 5329382
Indolyl quinolinone deriv. 17
CID 5329383
(3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331096
(3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331097
(Z)-3-((1H-pyrrol-2-yl)methylene)indolin-2-one
CID 5908088
(3Z)-4-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 10489322
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxamide
CID 23647618

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide (CID 23647616) is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide?
The InChIKey is XWIFOKQIVVOLAA-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c14-20(18,19)9-3-4-12-10(7-9)11(13(17)16-12)6-8-2-1-5-15-8/h1-7,15H,(H,16,17)(H2,14,18,19)/b11-6-.
What are the key properties of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide?
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-sulfonamide is sourced from PubChem (CID 23647616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).