2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine

C19H21N5O2S — CID 52943890

IUPAC2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cccc(C)c12
InChIInChI=1S/C19H21N5O2S/c1-12-7-9-15(10-8-12)27(25,26)24-11-16(14(3)22-23-19(20)21)18-13(2)5-4-6-17(18)24/h4-11H,1-3H3,(H4,20,21,23)/b22-14+
InChIKeyYECOCXQIHNMDRQ-HYARGMPZSA-N
MW383.48 g/mol
LogP2.49
Rot. Bonds4

About 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine

2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine (PubChem CID 52943890) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
PubChem CID52943890
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cccc(C)c12
InChIInChI=1S/C19H21N5O2S/c1-12-7-9-15(10-8-12)27(25,26)24-11-16(14(3)22-23-19(20)21)18-13(2)5-4-6-17(18)24/h4-11H,1-3H3,(H4,20,21,23)/b22-14+
InChIKeyYECOCXQIHNMDRQ-HYARGMPZSA-N
XLogP2.49
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720
[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]-(3-nitrophenyl)methanone
CID 139773353
2-[(Z)-1-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10001896
2-[1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 87970617
2-[(Z)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10070727
2-[1-[1-(benzenesulfonyl)-5-cyanoindol-3-yl]ethylideneamino]guanidine
CID 85134514
2-[1-[1-(2-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 85088396
2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine
CID 10474545
(E)-1-[4-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 16751450
N-[(E)-1-[1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]benzamide
CID 146000657
4-bromo-3-(2,2-dibromoethenyl)-1-(4-methylphenyl)sulfonylindole
CID 53375363
2-[[1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbutylidene]amino]guanidine
CID 87970881

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine (CID 52943890) is 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc(C)cc2)c2cccc(C)c12.
What is the InChIKey of 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
The InChIKey is YECOCXQIHNMDRQ-HYARGMPZSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-7-9-15(10-8-12)27(25,26)24-11-16(14(3)22-23-19(20)21)18-13(2)5-4-6-17(18)24/h4-11H,1-3H3,(H4,20,21,23)/b22-14+.
What are the key properties of 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine has a molecular weight of 383.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 52943890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).