2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine

C23H20ClN5O2S — CID 87970516

IUPAC2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(Cl)cc12)C1CC1
InChIInChI=1S/C23H20ClN5O2S/c24-17-8-10-21-19(12-17)20(22(15-5-6-15)27-28-23(25)26)13-29(21)32(30,31)18-9-7-14-3-1-2-4-16(14)11-18/h1-4,7-13,15H,5-6H2,(H4,25,26,28)/b27-22-
InChIKeySVSUPXDJNUIYNB-QYQHSDTDSA-N
MW465.97 g/mol
LogP4.07
Rot. Bonds5

About 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine

2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine (PubChem CID 87970516) has the molecular formula C23H20ClN5O2S and a molecular weight of 465.97 g/mol. Its IUPAC name is 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine
PubChem CID87970516
Molecular FormulaC23H20ClN5O2S
Molecular Weight465.97 g/mol
Exact Mass465.10
IUPAC Name2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(Cl)cc12)C1CC1
InChIInChI=1S/C23H20ClN5O2S/c24-17-8-10-21-19(12-17)20(22(15-5-6-15)27-28-23(25)26)13-29(21)32(30,31)18-9-7-14-3-1-2-4-16(14)11-18/h1-4,7-13,15H,5-6H2,(H4,25,26,28)/b27-22-
InChIKeySVSUPXDJNUIYNB-QYQHSDTDSA-N
XLogP4.07
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 54.07
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'}

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Related Compounds

2-[(E)-[cyclopropyl-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]methylidene]amino]guanidine
CID 22394667
2-[1-(5-fluoro-1-naphthalen-2-ylsulfonylindol-3-yl)propylideneamino]guanidine
CID 73082585
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
1-naphthalen-2-ylsulfonylindole-3-carboxamide
CID 16654882
2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
CID 87969673
2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine
CID 87970805
2-[(Z)-1-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10001896
2-[1-[1-(benzenesulfonyl)-5-cyanoindol-3-yl]ethylideneamino]guanidine
CID 85134514
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine (CID 87970516) is 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine is NC(N)=N/N=C(\c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccc(Cl)cc12)C1CC1.
What is the InChIKey of 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine?
The InChIKey is SVSUPXDJNUIYNB-QYQHSDTDSA-N. The full InChI is InChI=1S/C23H20ClN5O2S/c24-17-8-10-21-19(12-17)20(22(15-5-6-15)27-28-23(25)26)13-29(21)32(30,31)18-9-7-14-3-1-2-4-16(14)11-18/h1-4,7-13,15H,5-6H2,(H4,25,26,28)/b27-22-.
What are the key properties of 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine?
2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine has a molecular weight of 465.97 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(5-chloro-1-naphthalen-2-ylsulfonylindol-3-yl)-cyclopropylmethylidene]amino]guanidine is sourced from PubChem (CID 87970516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).