N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide

C12H14N2O3S — CID 101215814

IUPACN-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide
SMILESO=Nc1ccc(S(=O)(=O)NC2C=CCCC2)cc1
InChIInChI=1S/C12H14N2O3S/c15-13-10-6-8-12(9-7-10)18(16,17)14-11-4-2-1-3-5-11/h2,4,6-9,11,14H,1,3,5H2
InChIKeyIFQSCXDWZUCDFQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.47
Rot. Bonds4

About N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide

N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide (PubChem CID 101215814) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide
PubChem CID101215814
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide
SMILESO=Nc1ccc(S(=O)(=O)NC2C=CCCC2)cc1
InChIInChI=1S/C12H14N2O3S/c15-13-10-6-8-12(9-7-10)18(16,17)14-11-4-2-1-3-5-11/h2,4,6-9,11,14H,1,3,5H2
InChIKeyIFQSCXDWZUCDFQ-UHFFFAOYSA-N
XLogP2.47
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide
CID 11544020
N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
CID 11183983
N-cyclohex-2-en-1-yl-2-[4-(ethylsulfamoyl)phenyl]acetamide
CID 86791122
N-cyclohex-2-en-1-yl-2-methylsulfonylaniline
CID 71920706
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
(2,3,4,5,6-pentafluorophenyl)methyl N-cyclohex-2-en-1-ylsulfamate
CID 53260508
3-[(1R)-1-[[(1S)-cyclohex-2-en-1-yl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97102694
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide (CID 101215814) is N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide is O=Nc1ccc(S(=O)(=O)NC2C=CCCC2)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide?
The InChIKey is IFQSCXDWZUCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-13-10-6-8-12(9-7-10)18(16,17)14-11-4-2-1-3-5-11/h2,4,6-9,11,14H,1,3,5H2.
What are the key properties of N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide?
N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide is sourced from PubChem (CID 101215814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).