N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide

C27H28N4O3S — CID 156554031

IUPACN-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5c4N=CCC5)cc3)CC2)c1
InChIInChI=1S/C27H28N4O3S/c1-20-5-2-8-24(19-20)30-15-17-31(18-16-30)27(32)22-10-12-23(13-11-22)29-35(33,34)25-9-3-6-21-7-4-14-28-26(21)25/h2-3,5-6,8-14,19,29H,4,7,15-18H2,1H3
InChIKeyCFJVFEHBIBENRX-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide

N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide (PubChem CID 156554031) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide
PubChem CID156554031
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5c4N=CCC5)cc3)CC2)c1
InChIInChI=1S/C27H28N4O3S/c1-20-5-2-8-24(19-20)30-15-17-31(18-16-30)27(32)22-10-12-23(13-11-22)29-35(33,34)25-9-3-6-21-7-4-14-28-26(21)25/h2-3,5-6,8-14,19,29H,4,7,15-18H2,1H3
InChIKeyCFJVFEHBIBENRX-UHFFFAOYSA-N
XLogP4.41
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide
CID 129293676
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
ethyl 3-[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]benzoate
CID 59635188
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 17478919
[4-(3-methylphenyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-5-yl]methanone
CID 109248684
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 2982299
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
[6-(3-methylanilino)-3-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109160392

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide (CID 156554031) is N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide is Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5c4N=CCC5)cc3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide?
The InChIKey is CFJVFEHBIBENRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-20-5-2-8-24(19-20)30-15-17-31(18-16-30)27(32)22-10-12-23(13-11-22)29-35(33,34)25-9-3-6-21-7-4-14-28-26(21)25/h2-3,5-6,8-14,19,29H,4,7,15-18H2,1H3.
What are the key properties of N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide?
N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide has a molecular weight of 488.61 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydroquinoline-8-sulfonamide is sourced from PubChem (CID 156554031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).