N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide

C20H19ClN2O3S — CID 50760112

IUPACN-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=C1CCCC1
InChIInChI=1S/C20H19ClN2O3S/c21-17-8-4-3-7-14(17)12-22-27(25,26)15-9-10-18-16(11-15)19(20(24)23-18)13-5-1-2-6-13/h3-4,7-11,22H,1-2,5-6,12H2,(H,23,24)
InChIKeyPEPXAWGKXMURTP-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.10
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide

N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide (PubChem CID 50760112) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide
PubChem CID50760112
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=C1CCCC1
InChIInChI=1S/C20H19ClN2O3S/c21-17-8-4-3-7-14(17)12-22-27(25,26)15-9-10-18-16(11-15)19(20(24)23-18)13-5-1-2-6-13/h3-4,7-11,22H,1-2,5-6,12H2,(H,23,24)
InChIKeyPEPXAWGKXMURTP-UHFFFAOYSA-N
XLogP4.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
CID 50759890
3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 50759991
N-[(2-chlorophenyl)methyl]-3-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22516485
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
CID 50760015
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629113
N-[(2-chlorophenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695558
N-[(2-chlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3851131
N-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178741
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide (CID 50760112) is N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2C1=C1CCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is PEPXAWGKXMURTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c21-17-8-4-3-7-14(17)12-22-27(25,26)15-9-10-18-16(11-15)19(20(24)23-18)13-5-1-2-6-13/h3-4,7-11,22H,1-2,5-6,12H2,(H,23,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 402.90 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-cyclopentylidene-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 50760112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).