2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride

C18H19ClN2O3S — CID 175398117

IUPAC2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.Nc1ccccc1O
InChIInChI=1S/C12H12ClNO2S.C6H7NO/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16;7-5-3-1-2-4-6(5)8/h3-8H,1-2H3;1-4,8H,7H2
InChIKeyBGYDBLAQKGELGI-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.81
Rot. Bonds2

About 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride

2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride (PubChem CID 175398117) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride
PubChem CID175398117
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.Nc1ccccc1O
InChIInChI=1S/C12H12ClNO2S.C6H7NO/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16;7-5-3-1-2-4-6(5)8/h3-8H,1-2H3;1-4,8H,7H2
InChIKeyBGYDBLAQKGELGI-UHFFFAOYSA-N
XLogP3.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.81
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'}

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Related Compounds

5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride
CID 160685371
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride
CID 123694795
5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride
CID 118611040
[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453
ethyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 14290422
N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
CID 141296810
[5-(dimethylamino)naphthalen-1-yl]sulfonyl N,N-dimethylcarbamodithioate
CID 3661171
phenyl 5-(dimethylamino)naphthalene-1-sulfonate
CID 598567
2-[5-(dimethylamino)naphthalen-1-yl]sulfonylethyl carbonochloridate
CID 10991480

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The IUPAC name of 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride (CID 175398117) is 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride is CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.Nc1ccccc1O.
What is the InChIKey of 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The InChIKey is BGYDBLAQKGELGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S.C6H7NO/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16;7-5-3-1-2-4-6(5)8/h3-8H,1-2H3;1-4,8H,7H2.
What are the key properties of 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride?
2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride has a molecular weight of 378.88 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 175398117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).