5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide

C14H20N2O4S — CID 102946028

IUPAC5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NC2CC=CCC2)cc1N
InChIInChI=1S/C14H20N2O4S/c1-19-12-9-13(20-2)14(8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-4,8-10,16H,5-7,15H2,1-2H3
InChIKeyYXSGLQRPFBVHJF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.67
Rot. Bonds5

About 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide

5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide (PubChem CID 102946028) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide
PubChem CID102946028
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NC2CC=CCC2)cc1N
InChIInChI=1S/C14H20N2O4S/c1-19-12-9-13(20-2)14(8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-4,8-10,16H,5-7,15H2,1-2H3
InChIKeyYXSGLQRPFBVHJF-UHFFFAOYSA-N
XLogP1.67
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
3-amino-N-cyclohex-3-en-1-yl-2,5,6-trimethylbenzenesulfonamide
CID 106505035
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
4-amino-3-chloro-N-cyclohex-3-en-1-ylbenzenesulfonamide
CID 115330193
5-amino-N-but-3-yn-2-yl-2,4-dimethoxybenzenesulfonamide
CID 102946161
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
5-amino-2,4-dimethoxy-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106180466

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide (CID 102946028) is 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NC2CC=CCC2)cc1N.
What is the InChIKey of 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide?
The InChIKey is YXSGLQRPFBVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-19-12-9-13(20-2)14(8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-4,8-10,16H,5-7,15H2,1-2H3.
What are the key properties of 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide?
5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohex-3-en-1-yl-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 102946028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).