N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide

C21H22N2O4S — CID 162648327

IUPACN-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)/C(=C/C1CCCC1)C(=O)N2
InChIInChI=1S/C21H22N2O4S/c1-27-19-8-4-5-9-20(19)28(25,26)23-15-10-11-18-16(13-15)17(21(24)22-18)12-14-6-2-3-7-14/h4-5,8-14,23H,2-3,6-7H2,1H3,(H,22,24)/b17-12-
InChIKeyFCQMHJLCPWZWQJ-ATVHPVEESA-N
MW398.48 g/mol
LogP4.02
Rot. Bonds5

About N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide

N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide (PubChem CID 162648327) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
PubChem CID162648327
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)/C(=C/C1CCCC1)C(=O)N2
InChIInChI=1S/C21H22N2O4S/c1-27-19-8-4-5-9-20(19)28(25,26)23-15-10-11-18-16(13-15)17(21(24)22-18)12-14-6-2-3-7-14/h4-5,8-14,23H,2-3,6-7H2,1H3,(H,22,24)/b17-12-
InChIKeyFCQMHJLCPWZWQJ-ATVHPVEESA-N
XLogP4.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.02
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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Related Compounds

(3E)-5-(4-chloroanilino)-3-(cyclohexylmethylidene)-1H-indol-2-one
CID 155529841
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
CID 71271629
cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
CID 154701298
(3E)-3-[(2-methoxyphenyl)methylidene]-N-(3-methylphenyl)-2-oxo-1H-indole-5-sulfonamide
CID 25181820
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
3-[[4-(dimethylamino)-2-methoxyphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57044958
N-[(4Z)-4-(methoxymethylidene)-1,3-dioxoisoquinolin-6-yl]benzenesulfonamide
CID 143496898
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57127499
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57294666
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide (CID 162648327) is N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)/C(=C/C1CCCC1)C(=O)N2.
What is the InChIKey of N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
The InChIKey is FCQMHJLCPWZWQJ-ATVHPVEESA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-27-19-8-4-5-9-20(19)28(25,26)23-15-10-11-18-16(13-15)17(21(24)22-18)12-14-6-2-3-7-14/h4-5,8-14,23H,2-3,6-7H2,1H3,(H,22,24)/b17-12-.
What are the key properties of N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide?
N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 162648327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).