N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride

C25H24ClN5O2S2 — CID 18177058

IUPACN-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)CC(N(Cc1ccsc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1
InChIInChI=1S/C25H23N5O2S2.ClH/c26-12-19-6-7-25-21(10-19)11-23(16-29(25)15-22-13-27-18-28-22)30(14-20-8-9-33-17-20)34(31,32)24-4-2-1-3-5-24;/h1-10,13,17-18,23H,11,14-16H2,(H,27,28);1H
InChIKeyBIWPBFMAZYBBCK-UHFFFAOYSA-N
MW526.09 g/mol
LogP4.59
Rot. Bonds7

About N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride

N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 18177058) has the molecular formula C25H24ClN5O2S2 and a molecular weight of 526.09 g/mol. Its IUPAC name is N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID18177058
Molecular FormulaC25H24ClN5O2S2
Molecular Weight526.09 g/mol
Exact Mass525.11
IUPAC NameN-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)CC(N(Cc1ccsc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1
InChIInChI=1S/C25H23N5O2S2.ClH/c26-12-19-6-7-25-21(10-19)11-23(16-29(25)15-22-13-27-18-28-22)30(14-20-8-9-33-17-20)34(31,32)24-4-2-1-3-5-24;/h1-10,13,17-18,23H,11,14-16H2,(H,27,28);1H
InChIKeyBIWPBFMAZYBBCK-UHFFFAOYSA-N
XLogP4.59
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.09
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 18177058) is N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride is Cl.N#Cc1ccc2c(c1)CC(N(Cc1ccsc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1.
What is the InChIKey of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BIWPBFMAZYBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S2.ClH/c26-12-19-6-7-25-21(10-19)11-23(16-29(25)15-22-13-27-18-28-22)30(14-20-8-9-33-17-20)34(31,32)24-4-2-1-3-5-24;/h1-10,13,17-18,23H,11,14-16H2,(H,27,28);1H.
What are the key properties of N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride?
N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 526.09 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 18177058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).