3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide

C20H20N4O3S — CID 17433853

IUPAC3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cncn1-c1ccccc1
InChIInChI=1S/C20H20N4O3S/c25-20(19-13-21-14-24(19)17-8-2-1-3-9-17)22-23-28(26,27)18-11-10-15-6-4-5-7-16(15)12-18/h1-3,8-14,23H,4-7H2,(H,22,25)
InChIKeyKDRDTLCBQHCBBP-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.37
Rot. Bonds5

About 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide

3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide (PubChem CID 17433853) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
PubChem CID17433853
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cncn1-c1ccccc1
InChIInChI=1S/C20H20N4O3S/c25-20(19-13-21-14-24(19)17-8-2-1-3-9-17)22-23-28(26,27)18-11-10-15-6-4-5-7-16(15)12-18/h1-3,8-14,23H,4-7H2,(H,22,25)
InChIKeyKDRDTLCBQHCBBP-UHFFFAOYSA-N
XLogP2.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[[(3-phenylimidazole-4-carbonyl)amino]sulfamoyl]benzoic acid
CID 25324997
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
CID 18092883
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
N'-(1,3-benzodioxole-5-carbonyl)-3-phenylimidazole-4-carbohydrazide
CID 17473757
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
(3S)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7940877
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
CID 42145677
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370914

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide?
The IUPAC name of 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide (CID 17433853) is 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide?
The InChIKey is KDRDTLCBQHCBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-20(19-13-21-14-24(19)17-8-2-1-3-9-17)22-23-28(26,27)18-11-10-15-6-4-5-7-16(15)12-18/h1-3,8-14,23H,4-7H2,(H,22,25).
What are the key properties of 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide?
3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide has a molecular weight of 396.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 17433853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).