3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide

C8H11ClN2O4S — CID 18373483

IUPAC3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C8H11ClN2O4S/c1-11(15-2)16(13,14)8-5(9)3-4-6(10)7(8)12/h3-4,12H,10H2,1-2H3
InChIKeyRYSGFKNYZFZUFK-UHFFFAOYSA-N
MW266.71 g/mol
LogP0.81
Rot. Bonds3

About 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide

3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 18373483) has the molecular formula C8H11ClN2O4S and a molecular weight of 266.71 g/mol. Its IUPAC name is 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide
PubChem CID18373483
Molecular FormulaC8H11ClN2O4S
Molecular Weight266.71 g/mol
Exact Mass266.01
IUPAC Name3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C8H11ClN2O4S/c1-11(15-2)16(13,14)8-5(9)3-4-6(10)7(8)12/h3-4,12H,10H2,1-2H3
InChIKeyRYSGFKNYZFZUFK-UHFFFAOYSA-N
XLogP0.81
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 800888
3-amino-6-chloro-2-hydroxy-N-(1,2,2-trifluoroethyl)benzenesulfonamide
CID 18373426
6-chloro-2-hydroxy-3-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 57232597
3-amino-6-chloro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 57264463
6-chloro-2-hydroxy-3-nitro-N-(1,2,2-trifluoroethyl)benzenesulfonamide
CID 69824916
6-Amino-3-chloro-2-(3,3-difluoropyrrolidin-1-yl)sulfonylphenol
CID 118540353
6-Amino-3-chloro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)sulfonylphenol
CID 118540477
6-Amino-3-chloro-2-(3-fluorooxetan-3-yl)sulfonylphenol
CID 118540480
6-Amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol
CID 118540487
6-Amino-3-chloro-2-(3-fluoroazetidin-1-yl)sulfonylphenol
CID 118540555
6-Amino-3-chloro-2-[2-(dimethylamino)-1,1-difluoroethyl]sulfonylphenol
CID 118540572
6-Amino-3-chloro-2-(1-fluoro-2-methylpropan-2-yl)sulfonylphenol
CID 118540613

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide (CID 18373483) is 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1c(Cl)ccc(N)c1O.
What is the InChIKey of 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is RYSGFKNYZFZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S/c1-11(15-2)16(13,14)8-5(9)3-4-6(10)7(8)12/h3-4,12H,10H2,1-2H3.
What are the key properties of 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide?
3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 266.71 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-2-hydroxy-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 18373483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).