N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide

C15H17N3O6S — CID 10861503

IUPACN-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1C=CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O6S/c1-2-10-16(12-6-4-3-5-7-12)25(23,24)15-9-8-13(17(19)20)11-14(15)18(21)22/h2,4,6,8-9,11-12H,1,3,5,7,10H2
InChIKeyLFUISRFOSKYZAS-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.79
Rot. Bonds7

About N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide

N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide (PubChem CID 10861503) has the molecular formula C15H17N3O6S and a molecular weight of 367.38 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide
PubChem CID10861503
Molecular FormulaC15H17N3O6S
Molecular Weight367.38 g/mol
Exact Mass367.08
IUPAC NameN-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1C=CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O6S/c1-2-10-16(12-6-4-3-5-7-12)25(23,24)15-9-8-13(17(19)20)11-14(15)18(21)22/h2,4,6,8-9,11-12H,1,3,5,7,10H2
InChIKeyLFUISRFOSKYZAS-UHFFFAOYSA-N
XLogP2.79
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2Z)-cyclooct-2-en-1-yl]-N-(3-iodoprop-2-ynyl)-4-nitrobenzenesulfonamide
CID 132565227
N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
CID 11077613
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 102870273
4-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzenesulfonamide
CID 115754668
N-[4-(hydroxymethyl)phenyl]-N-methyl-2,4-dinitrobenzenesulfonamide
CID 121335665
methyl [(1R,4S)-4-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]cyclopent-2-en-1-yl] carbonate
CID 101084405
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
2,4-dinitro-1-(4-nitrophenyl)sulfonylbenzene
CID 611987
2-(2,4-dinitrophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 4628427
N-chloro-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 102510477
N-[(1S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(prop-2-enylamino)cyclohept-2-en-1-yl]-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 11027739
N-cyclohexyl-N-ethyl-2,4-dinitroaniline
CID 9282678

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide (CID 10861503) is N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide is C=CCN(C1C=CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is LFUISRFOSKYZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6S/c1-2-10-16(12-6-4-3-5-7-12)25(23,24)15-9-8-13(17(19)20)11-14(15)18(21)22/h2,4,6,8-9,11-12H,1,3,5,7,10H2.
What are the key properties of N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide?
N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 367.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2,4-dinitro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 10861503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).