N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C29H25ClN2O3S — CID 17248278

IUPACN-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C29H25ClN2O3S/c30-25-15-7-13-24(19-25)29(33)32-18-8-14-23-20-26(16-17-27(23)32)36(34,35)31-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,15-17,19-20,28,31H,8,14,18H2
InChIKeyMDKIFXNLZSICPA-UHFFFAOYSA-N
MW517.05 g/mol
LogP6.00
Rot. Bonds6

About N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17248278) has the molecular formula C29H25ClN2O3S and a molecular weight of 517.05 g/mol. Its IUPAC name is N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17248278
Molecular FormulaC29H25ClN2O3S
Molecular Weight517.05 g/mol
Exact Mass516.13
IUPAC NameN-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C29H25ClN2O3S/c30-25-15-7-13-24(19-25)29(33)32-18-8-14-23-20-26(16-17-27(23)32)36(34,35)31-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,15-17,19-20,28,31H,8,14,18H2
InChIKeyMDKIFXNLZSICPA-UHFFFAOYSA-N
XLogP6.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.05
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
1-(3-chlorobenzoyl)-N-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248242
1-(3-chlorobenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248266
N-butyl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248184
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
1-(3-chlorobenzoyl)-N-(4-ethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248236
1-(3-chlorobenzoyl)-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248264
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17248278) is N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is MDKIFXNLZSICPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O3S/c30-25-15-7-13-24(19-25)29(33)32-18-8-14-23-20-26(16-17-27(23)32)36(34,35)31-28(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,15-17,19-20,28,31H,8,14,18H2.
What are the key properties of N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 517.05 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17248278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).