8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide

C21H20N4O2S — CID 55545410

IUPAC8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)c2cccnc12
InChIInChI=1S/C21H20N4O2S/c1-15-10-11-18(17-9-6-12-22-19(15)17)28(26,27)24-20(16-7-4-3-5-8-16)21-23-13-14-25(21)2/h3-14,20,24H,1-2H3
InChIKeyAWQDGBKHKKIGLC-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.34
Rot. Bonds5

About 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide

8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide (PubChem CID 55545410) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
PubChem CID55545410
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)c2cccnc12
InChIInChI=1S/C21H20N4O2S/c1-15-10-11-18(17-9-6-12-22-19(15)17)28(26,27)24-20(16-7-4-3-5-8-16)21-23-13-14-25(21)2/h3-14,20,24H,1-2H3
InChIKeyAWQDGBKHKKIGLC-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 17397983
4-tert-butyl-2,6-dimethyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 27690542
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 31080245
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 103862690
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-nitrobenzenesulfonamide
CID 55456691
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide (CID 55545410) is 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)c2cccnc12.
What is the InChIKey of 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide?
The InChIKey is AWQDGBKHKKIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-10-11-18(17-9-6-12-22-19(15)17)28(26,27)24-20(16-7-4-3-5-8-16)21-23-13-14-25(21)2/h3-14,20,24H,1-2H3.
What are the key properties of 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide?
8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide is sourced from PubChem (CID 55545410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).