N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide

C19H18N2O4S — CID 171390286

IUPACN-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H18N2O4S/c1-2-11-26(24,25)21-14-9-7-13(8-10-14)18(22)12-16-15-5-3-4-6-17(15)20-19(16)23/h3-10,12,21H,2,11H2,1H3,(H,20,23)/b16-12+
InChIKeyJBRFQRUAOOLXCO-FOWTUZBSSA-N
MW370.43 g/mol
LogP3.06
Rot. Bonds6

About N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide

N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide (PubChem CID 171390286) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide
PubChem CID171390286
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C19H18N2O4S/c1-2-11-26(24,25)21-14-9-7-13(8-10-14)18(22)12-16-15-5-3-4-6-17(15)20-19(16)23/h3-10,12,21H,2,11H2,1H3,(H,20,23)/b16-12+
InChIKeyJBRFQRUAOOLXCO-FOWTUZBSSA-N
XLogP3.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide (CID 171390286) is N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is JBRFQRUAOOLXCO-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-2-11-26(24,25)21-14-9-7-13(8-10-14)18(22)12-16-15-5-3-4-6-17(15)20-19(16)23/h3-10,12,21H,2,11H2,1H3,(H,20,23)/b16-12+.
What are the key properties of N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide?
N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-(2-oxo-1H-indol-3-ylidene)acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 171390286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).