3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

C12H18BrClN2O3S — CID 106165383

IUPAC3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H18BrClN2O3S/c1-3-12(2,4-5-17)16-20(18,19)10-7-8(14)6-9(15)11(10)13/h6-7,16-17H,3-5,15H2,1-2H3
InChIKeyVTBVDKKFOTVUOW-UHFFFAOYSA-N
MW385.71 g/mol
LogP2.51
Rot. Bonds6

About 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106165383) has the molecular formula C12H18BrClN2O3S and a molecular weight of 385.71 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106165383
Molecular FormulaC12H18BrClN2O3S
Molecular Weight385.71 g/mol
Exact Mass383.99
IUPAC Name3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H18BrClN2O3S/c1-3-12(2,4-5-17)16-20(18,19)10-7-8(14)6-9(15)11(10)13/h6-7,16-17H,3-5,15H2,1-2H3
InChIKeyVTBVDKKFOTVUOW-UHFFFAOYSA-N
XLogP2.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 52.51
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-bromo-5-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165237
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
5-amino-2-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (CID 106165383) is 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is VTBVDKKFOTVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O3S/c1-3-12(2,4-5-17)16-20(18,19)10-7-8(14)6-9(15)11(10)13/h6-7,16-17H,3-5,15H2,1-2H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 385.71 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106165383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).