2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene

C12H13ClN2O3S — CID 58565692

IUPAC2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
SMILESCN(C)S(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C12H13ClN2O3S/c1-15(2)19(17,18)14-11-7-10(13)12(16)9-6-4-3-5-8(9)11/h3-7,14,16H,1-2H3
InChIKeyBEMFNRXYYSFRKY-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.42
Rot. Bonds3

About 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene

2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene (PubChem CID 58565692) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene.

Molecular Properties

Compound Name2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
PubChem CID58565692
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
SMILESCN(C)S(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C12H13ClN2O3S/c1-15(2)19(17,18)14-11-7-10(13)12(16)9-6-4-3-5-8(9)11/h3-7,14,16H,1-2H3
InChIKeyBEMFNRXYYSFRKY-UHFFFAOYSA-N
XLogP2.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene?
The IUPAC name of 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene (CID 58565692) is 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene.
What is the SMILES notation for 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene?
The canonical SMILES for 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene is CN(C)S(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12.
What is the InChIKey of 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene?
The InChIKey is BEMFNRXYYSFRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-15(2)19(17,18)14-11-7-10(13)12(16)9-6-4-3-5-8(9)11/h3-7,14,16H,1-2H3.
What are the key properties of 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene?
2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene has a molecular weight of 300.77 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene is sourced from PubChem (CID 58565692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).