4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

C14H18Br2N2O2S — CID 61113473

IUPAC4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NCCC2=CCCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2S/c15-12-8-11(17)9-13(16)14(12)21(19,20)18-7-6-10-4-2-1-3-5-10/h4,8-9,18H,1-3,5-7,17H2
InChIKeyUCRHFDDXDSZPSA-UHFFFAOYSA-N
MW438.19 g/mol
LogP3.96
Rot. Bonds5

About 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide

4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (PubChem CID 61113473) has the molecular formula C14H18Br2N2O2S and a molecular weight of 438.19 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
PubChem CID61113473
Molecular FormulaC14H18Br2N2O2S
Molecular Weight438.19 g/mol
Exact Mass435.95
IUPAC Name4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NCCC2=CCCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O2S/c15-12-8-11(17)9-13(16)14(12)21(19,20)18-7-6-10-4-2-1-3-5-10/h4,8-9,18H,1-3,5-7,17H2
InChIKeyUCRHFDDXDSZPSA-UHFFFAOYSA-N
XLogP3.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.19
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 61111770
5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106164632
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-fluorobenzenesulfonamide
CID 116528282
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
3-bromo-4-chloro-N-[2-(cyclopenten-1-yl)ethyl]benzenesulfonamide
CID 106174188
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide
CID 107855936
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluorobenzenesulfonamide
CID 103844649

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide (CID 61113473) is 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)NCCC2=CCCCC2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
The InChIKey is UCRHFDDXDSZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2S/c15-12-8-11(17)9-13(16)14(12)21(19,20)18-7-6-10-4-2-1-3-5-10/h4,8-9,18H,1-3,5-7,17H2.
What are the key properties of 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide?
4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide has a molecular weight of 438.19 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61113473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).