N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide

C28H28ClN3O3S — CID 123897685

IUPACN-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCN(CCCc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1C
InChIInChI=1S/C28H28ClN3O3S/c1-3-32(18-8-12-21-9-4-5-13-25(21)29)28(33)24-16-15-23(19-20(24)2)31-36(34,35)26-14-6-10-22-11-7-17-30-27(22)26/h4-7,9-11,13-17,19,31H,3,8,12,18H2,1-2H3
InChIKeyUVPVOLCGCLQGLZ-UHFFFAOYSA-N
MW522.07 g/mol
LogP6.09
Rot. Bonds9

About N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide

N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 123897685) has the molecular formula C28H28ClN3O3S and a molecular weight of 522.07 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID123897685
Molecular FormulaC28H28ClN3O3S
Molecular Weight522.07 g/mol
Exact Mass521.15
IUPAC NameN-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCCN(CCCc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1C
InChIInChI=1S/C28H28ClN3O3S/c1-3-32(18-8-12-21-9-4-5-13-25(21)29)28(33)24-16-15-23(19-20(24)2)31-36(34,35)26-14-6-10-22-11-7-17-30-27(22)26/h4-7,9-11,13-17,19,31H,3,8,12,18H2,1-2H3
InChIKeyUVPVOLCGCLQGLZ-UHFFFAOYSA-N
XLogP6.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.07
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide
CID 3864547
2-(diethylamino)ethyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 22204194
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-ethyl-N-[3-hydroxy-3-[3-(trifluoromethoxy)phenyl]butyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 123652352
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 24621380
N-[3-(aminomethyl)-4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 174761850
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide (CID 123897685) is N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide is CCN(CCCc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1C.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is UVPVOLCGCLQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3S/c1-3-32(18-8-12-21-9-4-5-13-25(21)29)28(33)24-16-15-23(19-20(24)2)31-36(34,35)26-14-6-10-22-11-7-17-30-27(22)26/h4-7,9-11,13-17,19,31H,3,8,12,18H2,1-2H3.
What are the key properties of N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide?
N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 522.07 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-N-ethyl-2-methyl-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 123897685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).