3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H14ClFN2O3S — CID 103050568

IUPAC3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-10(2,5-15)14-18(16,17)8-4-6(11)3-7(13)9(8)12/h3-4,14-15H,5,13H2,1-2H3
InChIKeyJROBWHJJTZXAMA-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 103050568) has the molecular formula C10H14ClFN2O3S and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID103050568
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC Name3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H14ClFN2O3S/c1-10(2,5-15)14-18(16,17)8-4-6(11)3-7(13)9(8)12/h3-4,14-15H,5,13H2,1-2H3
InChIKeyJROBWHJJTZXAMA-UHFFFAOYSA-N
XLogP1.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.11
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

5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106348102
3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107343168
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501855
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 103050231
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 103050568) is 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is JROBWHJJTZXAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O3S/c1-10(2,5-15)14-18(16,17)8-4-6(11)3-7(13)9(8)12/h3-4,14-15H,5,13H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 296.75 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103050568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).