2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide

C14H18Br2N2O2S — CID 61114170

IUPAC2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O2S/c1-2-7-18(11-5-3-4-6-11)21(19,20)14-12(16)8-10(15)9-13(14)17/h2,8-9,11H,1,3-7,17H2
InChIKeyKNMREXMQPISUNI-UHFFFAOYSA-N
MW438.19 g/mol
LogP3.91
Rot. Bonds5

About 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide

2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 61114170) has the molecular formula C14H18Br2N2O2S and a molecular weight of 438.19 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
PubChem CID61114170
Molecular FormulaC14H18Br2N2O2S
Molecular Weight438.19 g/mol
Exact Mass435.95
IUPAC Name2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O2S/c1-2-7-18(11-5-3-4-6-11)21(19,20)14-12(16)8-10(15)9-13(14)17/h2,8-9,11H,1,3-7,17H2
InChIKeyKNMREXMQPISUNI-UHFFFAOYSA-N
XLogP3.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
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

N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
CID 3670403
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
2-amino-4,6-dibromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304411
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide (CID 61114170) is 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CCCC1)S(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is KNMREXMQPISUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2S/c1-2-7-18(11-5-3-4-6-11)21(19,20)14-12(16)8-10(15)9-13(14)17/h2,8-9,11H,1,3-7,17H2.
What are the key properties of 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide?
2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 438.19 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61114170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).