2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide

C27H25N5O4S — CID 174899545

IUPAC2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1c1ccccc1
InChIInChI=1S/C27H25N5O4S/c28-27(34)32-17-16-31(18-23(32)19-6-2-1-3-7-19)26(33)21-11-13-22(14-12-21)30-37(35,36)24-10-4-8-20-9-5-15-29-25(20)24/h1-15,23,30H,16-18H2,(H2,28,34)
InChIKeyVBSYPOGXVIWFMQ-UHFFFAOYSA-N
MW515.60 g/mol
LogP3.61
Rot. Bonds5

About 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide

2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide (PubChem CID 174899545) has the molecular formula C27H25N5O4S and a molecular weight of 515.60 g/mol. Its IUPAC name is 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide
PubChem CID174899545
Molecular FormulaC27H25N5O4S
Molecular Weight515.60 g/mol
Exact Mass515.16
IUPAC Name2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1c1ccccc1
InChIInChI=1S/C27H25N5O4S/c28-27(34)32-17-16-31(18-23(32)19-6-2-1-3-7-19)26(33)21-11-13-22(14-12-21)30-37(35,36)24-10-4-8-20-9-5-15-29-25(20)24/h1-15,23,30H,16-18H2,(H2,28,34)
InChIKeyVBSYPOGXVIWFMQ-UHFFFAOYSA-N
XLogP3.61
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate
CID 57383378
N-[4-[4-(2-ethylphenyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635273
bis(N-[4-(piperazin-4-ium-1-carbonyl)phenyl]quinoline-8-sulfonamide);sulfate;trihydrate
CID 169133059
bis(N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide);sulfuric acid;trihydrate
CID 134693700
N-[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;sulfuric acid;hydrate
CID 171360792
N-[4-[4-(2-fluoro-3-iodobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 163609644
N-[4-[4-[1-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 134404667
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 77403363
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635215
N-[4-[4-[[(2S)-oxan-2-yl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 57410204
oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634750
N-[4-[4-(2,4-dichlorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634934

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide?
The IUPAC name of 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide (CID 174899545) is 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide?
The canonical SMILES for 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide is NC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1c1ccccc1.
What is the InChIKey of 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide?
The InChIKey is VBSYPOGXVIWFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4S/c28-27(34)32-17-16-31(18-23(32)19-6-2-1-3-7-19)26(33)21-11-13-22(14-12-21)30-37(35,36)24-10-4-8-20-9-5-15-29-25(20)24/h1-15,23,30H,16-18H2,(H2,28,34).
What are the key properties of 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide?
2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide has a molecular weight of 515.60 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 174899545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).