3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide

C12H17BrN2O3S — CID 115329229

IUPAC3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCCCC2O)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4,14H2
InChIKeyGLLUJPNBDWPTDR-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.61
Rot. Bonds3

About 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide

3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 115329229) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
PubChem CID115329229
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NC2CCCCC2O)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4,14H2
InChIKeyGLLUJPNBDWPTDR-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.61
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

3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
4-amino-3-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213611
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
4-hydrazinyl-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 62360200
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140
3-amino-4-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 107213453

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide (CID 115329229) is 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NC2CCCCC2O)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is GLLUJPNBDWPTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h5-7,11-12,15-16H,1-4,14H2.
What are the key properties of 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide?
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 115329229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).