3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide

C14H20BrNO3S — CID 67130398

IUPAC3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(C(O)CBr)c1
InChIInChI=1S/C14H20BrNO3S/c15-10-14(17)11-5-4-8-13(9-11)20(18,19)16-12-6-2-1-3-7-12/h4-5,8-9,12,14,16-17H,1-3,6-7,10H2
InChIKeyZEINTIVPSIDIKP-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.73
Rot. Bonds5

About 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide

3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide (PubChem CID 67130398) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
PubChem CID67130398
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(C(O)CBr)c1
InChIInChI=1S/C14H20BrNO3S/c15-10-14(17)11-5-4-8-13(9-11)20(18,19)16-12-6-2-1-3-7-12/h4-5,8-9,12,14,16-17H,1-3,6-7,10H2
InChIKeyZEINTIVPSIDIKP-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoethyl)-N-cyclopentylbenzenesulfonamide
CID 43101815
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-(3-amino-2-hydroxypropyl)-N-cyclohexylbenzenesulfonamide
CID 59280856
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662505
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide (CID 67130398) is 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(C(O)CBr)c1.
What is the InChIKey of 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is ZEINTIVPSIDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c15-10-14(17)11-5-4-8-13(9-11)20(18,19)16-12-6-2-1-3-7-12/h4-5,8-9,12,14,16-17H,1-3,6-7,10H2.
What are the key properties of 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide?
3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 67130398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).