2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H19BrN2O3S — CID 106119313

IUPAC2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H19BrN2O3S/c14-10-4-5-12(15)13(7-10)20(18,19)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,16-17H,1-3,6,8,15H2
InChIKeyILOIQTFEPXTRNC-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.86
Rot. Bonds4

About 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106119313) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106119313
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCC1CCCC(O)C1
InChIInChI=1S/C13H19BrN2O3S/c14-10-4-5-12(15)13(7-10)20(18,19)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,16-17H,1-3,6,8,15H2
InChIKeyILOIQTFEPXTRNC-UHFFFAOYSA-N
XLogP1.86
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
2-amino-5-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63402228
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
2-amino-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270335
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 66005687
5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120610
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
3-amino-2-bromo-5-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119168
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106119313) is 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is ILOIQTFEPXTRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c14-10-4-5-12(15)13(7-10)20(18,19)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,16-17H,1-3,6,8,15H2.
What are the key properties of 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106119313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).