N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide

C14H16N2O4S — CID 143109369

IUPACN-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cccc(O)c2O)cc1
InChIInChI=1S/C14H16N2O4S/c1-16(2)11-8-6-10(7-9-11)15-21(19,20)13-5-3-4-12(17)14(13)18/h3-9,15,17-18H,1-2H3
InChIKeyBXDHCJGXJVMSSG-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.96
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide

N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide (PubChem CID 143109369) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide
PubChem CID143109369
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cccc(O)c2O)cc1
InChIInChI=1S/C14H16N2O4S/c1-16(2)11-8-6-10(7-9-11)15-21(19,20)13-5-3-4-12(17)14(13)18/h3-9,15,17-18H,1-2H3
InChIKeyBXDHCJGXJVMSSG-UHFFFAOYSA-N
XLogP1.96
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 70331395
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
N-(3-fluoro-4-propan-2-ylphenyl)-2,3-dihydroxybenzenesulfonamide
CID 143550376
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136
N-[4-(dimethylamino)phenyl]sulfamoyl chloride
CID 84760640
5-[[4-(dimethylamino)phenyl]sulfamoyl]-2,3,4-trifluorobenzoic acid
CID 22465630
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide (CID 143109369) is N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cccc(O)c2O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide?
The InChIKey is BXDHCJGXJVMSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-16(2)11-8-6-10(7-9-11)15-21(19,20)13-5-3-4-12(17)14(13)18/h3-9,15,17-18H,1-2H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide?
N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide is sourced from PubChem (CID 143109369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).