N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide

C19H20N4O4S2 — CID 71806452

IUPACN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cn1
InChIInChI=1S/C19H20N4O4S2/c1-22-14-18(13-20-22)28(24,25)21-16-10-9-15-6-5-11-23(19(15)12-16)29(26,27)17-7-3-2-4-8-17/h2-4,7-10,12-14,21H,5-6,11H2,1H3
InChIKeyIZZAKWONJNLKLY-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide

N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71806452) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID71806452
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cn1
InChIInChI=1S/C19H20N4O4S2/c1-22-14-18(13-20-22)28(24,25)21-16-10-9-15-6-5-11-23(19(15)12-16)29(26,27)17-7-3-2-4-8-17/h2-4,7-10,12-14,21H,5-6,11H2,1H3
InChIKeyIZZAKWONJNLKLY-UHFFFAOYSA-N
XLogP2.36
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Tert-Butylbenzyl)-1,5-Dimethyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazin-8-Amine 4,4-Dioxide
CID 70698427
1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
CID 134817805
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
N-(2-ethyl-6-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022099
N-(2,4-dimethylphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914791
8-(4-Ethylphenyl)-1,5-dimethylpyrazolo[4,5-c][2,1]benzothiazine 4,4-dioxide
CID 71567006
N-[(4-fluorophenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-amine
CID 71567146
4-(4,5-Dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 137226330
4-(7-Methyl-4,5-dihydropyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 137226331

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide (CID 71806452) is N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cn1.
What is the InChIKey of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is IZZAKWONJNLKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-22-14-18(13-20-22)28(24,25)21-16-10-9-15-6-5-11-23(19(15)12-16)29(26,27)17-7-3-2-4-8-17/h2-4,7-10,12-14,21H,5-6,11H2,1H3.
What are the key properties of N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 432.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).