N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

C11H12ClN3O3S — CID 64788920

IUPACN-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(O)cc2Cl)cn1C
InChIInChI=1S/C11H12ClN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-10-4-3-8(16)5-9(10)12/h3-6,14,16H,1-2H3
InChIKeyPFMSKAPXAJYGDH-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.89
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 64788920) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID64788920
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(O)cc2Cl)cn1C
InChIInChI=1S/C11H12ClN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-10-4-3-8(16)5-9(10)12/h3-6,14,16H,1-2H3
InChIKeyPFMSKAPXAJYGDH-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 53008171
N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 106831909
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103717307
N-[2-(1-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031566
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-fluorobenzoic acid
CID 51099437
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
CID 53008183
N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 167876017
N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62061591
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 64788920) is N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(O)cc2Cl)cn1C.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is PFMSKAPXAJYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-10-4-3-8(16)5-9(10)12/h3-6,14,16H,1-2H3.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 301.75 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 64788920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).