4-chloro-1-hydroxy-2-(sulfamoylamino)benzene

C6H7ClN2O3S — CID 28895885

IUPAC4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C6H7ClN2O3S/c7-4-1-2-6(10)5(3-4)9-13(8,11)12/h1-3,9-10H,(H2,8,11,12)
InChIKeyVKPUJXJDOMHNJV-UHFFFAOYSA-N
MW222.65 g/mol
LogP0.66
Rot. Bonds2

About 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene

4-chloro-1-hydroxy-2-(sulfamoylamino)benzene (PubChem CID 28895885) has the molecular formula C6H7ClN2O3S and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
PubChem CID28895885
Molecular FormulaC6H7ClN2O3S
Molecular Weight222.65 g/mol
Exact Mass221.99
IUPAC Name4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C6H7ClN2O3S/c7-4-1-2-6(10)5(3-4)9-13(8,11)12/h1-3,9-10H,(H2,8,11,12)
InChIKeyVKPUJXJDOMHNJV-UHFFFAOYSA-N
XLogP0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-fluoro-2-(sulfamoylamino)benzene
CID 112573776
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330
4-chloro-1-(4-hydroxybut-1-ynyl)-2-(sulfamoylamino)benzene
CID 114959515
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 60890757
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene?
The IUPAC name of 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene (CID 28895885) is 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene.
What is the SMILES notation for 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene?
The canonical SMILES for 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene?
The InChIKey is VKPUJXJDOMHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O3S/c7-4-1-2-6(10)5(3-4)9-13(8,11)12/h1-3,9-10H,(H2,8,11,12).
What are the key properties of 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene?
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene has a molecular weight of 222.65 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-2-(sulfamoylamino)benzene is sourced from PubChem (CID 28895885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).