N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide

C18H19N3O4S — CID 135647878

IUPACN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C(/C)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N3O4S/c1-12(15-11-19-16-7-5-4-6-14(15)16)20-21-26(22,23)18-10-13(24-2)8-9-17(18)25-3/h4-11,19,21H,1-3H3/b20-12-
InChIKeyYLOKFLJYCSAEGU-NDENLUEZSA-N
MW373.43 g/mol
LogP2.89
Rot. Bonds6

About N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide

N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide (PubChem CID 135647878) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide
PubChem CID135647878
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C(/C)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H19N3O4S/c1-12(15-11-19-16-7-5-4-6-14(15)16)20-21-26(22,23)18-10-13(24-2)8-9-17(18)25-3/h4-11,19,21H,1-3H3/b20-12-
InChIKeyYLOKFLJYCSAEGU-NDENLUEZSA-N
XLogP2.89
TPSA92.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
MS-245
CID 6918542
4-butyl-N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}benzene-1-sulfonamide
CID 24825398
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825399
N-{2-[2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825406
4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfonamide
CID 10429739
N-{2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 363314
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
Substituted phenylsulfonyltryptamine, 11l
CID 23655467
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)benzene-1-sulfonamide
CID 24825388
4-[3-(2-Diethylamino-ethyl)-5-methoxy-indole-1-sulfonyl]-phenylamine
CID 10250472

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide (CID 135647878) is N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N/N=C(/C)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is YLOKFLJYCSAEGU-NDENLUEZSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(15-11-19-16-7-5-4-6-14(15)16)20-21-26(22,23)18-10-13(24-2)8-9-17(18)25-3/h4-11,19,21H,1-3H3/b20-12-.
What are the key properties of N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide?
N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 135647878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).