2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine

C15H17N5O2S — CID 22725397

IUPAC2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
SMILESNC(N)=N/N=C1/CCCc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N5O2S/c16-15(17)19-18-13-7-4-8-14-12(13)9-10-20(14)23(21,22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H4,16,17,19)/b18-13-
InChIKeyMAPLWXKRPMRHOY-AQTBWJFISA-N
MW331.40 g/mol
LogP1.04
Rot. Bonds3

About 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine

2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine (PubChem CID 22725397) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
PubChem CID22725397
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
SMILESNC(N)=N/N=C1/CCCc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N5O2S/c16-15(17)19-18-13-7-4-8-14-12(13)9-10-20(14)23(21,22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H4,16,17,19)/b18-13-
InChIKeyMAPLWXKRPMRHOY-AQTBWJFISA-N
XLogP1.04
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.04
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)-[9-(benzenesulfonyl)-6-bromo-2,3-dihydro-1H-carbazol-4-ylidene]amino]guanidine
CID 22394648
1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
CID 13437713
2-[(E)-[9-(benzenesulfonyl)-6-bromo-2,2-dimethyl-1,3-dihydrocarbazol-4-ylidene]amino]guanidine
CID 22394688
2-[[1-[1-(benzenesulfonyl)indol-3-yl]-3-methylbutylidene]amino]guanidine
CID 87970881
3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one
CID 142413272
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
2-[(3-ethyl-1-methylsulfonyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine
CID 57235537
2-[1-[1-(benzenesulfonyl)-5-cyanoindol-3-yl]ethylideneamino]guanidine
CID 85134514
1-(benzenesulfonyl)-2-methylsulfonylpyrrole
CID 121219466
6-(benzenesulfonyl)furo[2,3-e]indol-3-one
CID 142413177
2-[(E)-[9-(benzenesulfonyl)-2,2-dimethyl-6-(trifluoromethoxy)-1,3-dihydrocarbazol-4-ylidene]amino]guanidine
CID 22394650
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine (CID 22725397) is 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine is NC(N)=N/N=C1/CCCc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine?
The InChIKey is MAPLWXKRPMRHOY-AQTBWJFISA-N. The full InChI is InChI=1S/C15H17N5O2S/c16-15(17)19-18-13-7-4-8-14-12(13)9-10-20(14)23(21,22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H4,16,17,19)/b18-13-.
What are the key properties of 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine?
2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine has a molecular weight of 331.40 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine is sourced from PubChem (CID 22725397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).