4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide

C14H21BrN2O3S — CID 63824064

IUPAC4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCOC2CCCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c15-13-10-11(16)6-7-14(13)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2
InChIKeySIRSSOKOHBERJR-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.66
Rot. Bonds6

About 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide

4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide (PubChem CID 63824064) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
PubChem CID63824064
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCOC2CCCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2O3S/c15-13-10-11(16)6-7-14(13)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2
InChIKeySIRSSOKOHBERJR-UHFFFAOYSA-N
XLogP2.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078
5-amino-N-(2-cyclohexyloxyethyl)-2-fluorobenzenesulfonamide
CID 63823533
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
5-amino-N-(2-cyclopentyloxyethyl)-2,3-difluorobenzenesulfonamide
CID 65022454
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 63824236
3-amino-N-(2-cyclohexyloxyethyl)pyridine-2-sulfonamide
CID 103306082
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
2-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012317

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide (CID 63824064) is 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCOC2CCCCC2)c(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
The InChIKey is SIRSSOKOHBERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c15-13-10-11(16)6-7-14(13)21(18,19)17-8-9-20-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2.
What are the key properties of 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide?
4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide is sourced from PubChem (CID 63824064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).