4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide

C16H25N3O2S — CID 3657005

IUPAC4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide
SMILESCC(C)(C)C1CCC(=NNc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H25N3O2S/c1-16(2,3)12-4-6-13(7-5-12)18-19-14-8-10-15(11-9-14)22(17,20)21/h8-12,19H,4-7H2,1-3H3,(H2,17,20,21)/b18-13-
InChIKeyMLFUJHNRRADLBB-AQTBWJFISA-N
MW323.46 g/mol
LogP3.34
Rot. Bonds3

About 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide

4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide (PubChem CID 3657005) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide
PubChem CID3657005
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide
SMILESCC(C)(C)C1CCC(=NNc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H25N3O2S/c1-16(2,3)12-4-6-13(7-5-12)18-19-14-8-10-15(11-9-14)22(17,20)21/h8-12,19H,4-7H2,1-3H3,(H2,17,20,21)/b18-13-
InChIKeyMLFUJHNRRADLBB-AQTBWJFISA-N
XLogP3.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclopentylidenehydrazinyl)benzenesulfonamide
CID 139083383
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
6-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 16556228
disodium;4-[2-[4-[(4-sulfonatophenyl)hydrazinylidene]cyclohexylidene]hydrazinyl]benzenesulfonate
CID 2831877
N-[(4-tert-butylcyclohexylidene)amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466003
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
methyl 2-[(1S,2Z)-2-[(4-sulfamoylphenyl)hydrazinylidene]cyclohexyl]acetate
CID 7689704
4-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 7066751
4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
CID 63760437
(1E)-1-tert-butylsulfonyl-N-(4-sulfamoylanilino)methanimidoyl cyanide
CID 6371262
(Z)-(4-methylphenyl)-oxido-[(4-sulfamoylphenyl)hydrazinylidene]azanium
CID 137072672
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
CID 55068310

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide (CID 3657005) is 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide is CC(C)(C)C1CCC(=NNc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is MLFUJHNRRADLBB-AQTBWJFISA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-16(2,3)12-4-6-13(7-5-12)18-19-14-8-10-15(11-9-14)22(17,20)21/h8-12,19H,4-7H2,1-3H3,(H2,17,20,21)/b18-13-.
What are the key properties of 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide?
4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 3657005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).