5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide

C16H22BrNO3S — CID 23968657

IUPAC5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H22BrNO3S/c1-3-11-18(14-7-5-4-6-8-14)22(19,20)16-12-13(17)9-10-15(16)21-2/h3,9-10,12,14H,1,4-8,11H2,2H3
InChIKeyKYMCFLZPNOEJOV-UHFFFAOYSA-N
MW388.33 g/mol
LogP3.97
Rot. Bonds6

About 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide

5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 23968657) has the molecular formula C16H22BrNO3S and a molecular weight of 388.33 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID23968657
Molecular FormulaC16H22BrNO3S
Molecular Weight388.33 g/mol
Exact Mass387.05
IUPAC Name5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H22BrNO3S/c1-3-11-18(14-7-5-4-6-8-14)22(19,20)16-12-13(17)9-10-15(16)21-2/h3,9-10,12,14H,1,4-8,11H2,2H3
InChIKeyKYMCFLZPNOEJOV-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61059880
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
5-bromo-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 47480367
5-chloro-N-cyclohexyl-N-ethyl-2-methoxybenzenesulfonamide
CID 897007
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
CID 2428075
5-bromo-N-cyclopentyl-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79994736
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methoxybenzenesulfonamide
CID 81396830
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide (CID 23968657) is 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is KYMCFLZPNOEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3S/c1-3-11-18(14-7-5-4-6-8-14)22(19,20)16-12-13(17)9-10-15(16)21-2/h3,9-10,12,14H,1,4-8,11H2,2H3.
What are the key properties of 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide?
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 388.33 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 23968657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).