2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine

C17H18N6O2S — CID 75115720

IUPAC2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C17H18N6O2S/c1-11(21-22-17(19)20)15-10-23(16-5-3-2-4-14(15)16)26(24,25)13-8-6-12(18)7-9-13/h2-10H,18H2,1H3,(H4,19,20,22)
InChIKeyDREHREYVGWNGON-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.46
Rot. Bonds4

About 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine

2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine (PubChem CID 75115720) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
PubChem CID75115720
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C17H18N6O2S/c1-11(21-22-17(19)20)15-10-23(16-5-3-2-4-14(15)16)26(24,25)13-8-6-12(18)7-9-13/h2-10H,18H2,1H3,(H4,19,20,22)
InChIKeyDREHREYVGWNGON-UHFFFAOYSA-N
XLogP1.46
TPSA141.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10001896
2-[1-[1-(2-nitrophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 85088396
2-[1-[1-(benzenesulfonyl)-5-cyanoindol-3-yl]ethylideneamino]guanidine
CID 85134514
2-[(Z)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]indol-3-yl]ethylideneamino]guanidine
CID 10474545
2-[(E)-1-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 52943890
2-[[1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbutylidene]amino]guanidine
CID 87970881
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-(4-aminophenyl)sulfonyl-5-chloroindol-3-yl]propylideneamino]guanidine
CID 85147541
2-[(E)-[cyclopropyl-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]methylidene]amino]guanidine
CID 22394667
2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
CID 87969673
1-(benzenesulfonyl)indole-3-carboxylate
CID 6932015

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine (CID 75115720) is 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine is CC(=NN=C(N)N)c1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
The InChIKey is DREHREYVGWNGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-11(21-22-17(19)20)15-10-23(16-5-3-2-4-14(15)16)26(24,25)13-8-6-12(18)7-9-13/h2-10H,18H2,1H3,(H4,19,20,22).
What are the key properties of 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine?
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine has a molecular weight of 370.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 75115720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).