N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide

C19H18N4O2S — CID 4908611

IUPACN-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C19H18N4O2S/c1-3-23-19-16(12-14-10-9-13(2)11-17(14)20-19)18(21-23)22-26(24,25)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyOUKYRWXRHRIFMF-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.71
Rot. Bonds4

About N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide

N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide (PubChem CID 4908611) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
PubChem CID4908611
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
SMILESCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccc(C)cc3nc21
InChIInChI=1S/C19H18N4O2S/c1-3-23-19-16(12-14-10-9-13(2)11-17(14)20-19)18(21-23)22-26(24,25)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyOUKYRWXRHRIFMF-UHFFFAOYSA-N
XLogP3.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-Dimethyl-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo-[1,5-a]quinazolin-2-amine
CID 44156756
N,9-Dimethyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo-[5,1-b]quinazolin-2-amine
CID 46867521
N-(1-Isopropyl-3-(1-methylindolin-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-methyl-1H-pyrazole-3-sulfonamide
CID 71090129
3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10180652
N-(3-{[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]methyl}phenyl)ethanesulfonamide
CID 70115992
3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949546
4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino) benzenesulfonamide (P2b)
CID 74982356
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 942876
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 1398881
N,N,2-trimethyl-5-(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzenesulfonamide
CID 1511199
2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-N-propylbenzenesulfonamide
CID 2228438
N-[2-(4-methylphenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010788

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide (CID 4908611) is N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide is CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccc(C)cc3nc21.
What is the InChIKey of N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
The InChIKey is OUKYRWXRHRIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-23-19-16(12-14-10-9-13(2)11-17(14)20-19)18(21-23)22-26(24,25)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide?
N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide has a molecular weight of 366.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 4908611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).