N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide

C20H24FN3O3S — CID 9336358

IUPACN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-3-23-10-12-24(13-11-23)20(25)16-4-7-18(8-5-16)22-28(26,27)19-9-6-17(21)14-15(19)2/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyCESALPBDRDQPME-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.71
Rot. Bonds5

About N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide

N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 9336358) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID9336358
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-3-23-10-12-24(13-11-23)20(25)16-4-7-18(8-5-16)22-28(26,27)19-9-6-17(21)14-15(19)2/h4-9,14,22H,3,10-13H2,1-2H3
InChIKeyCESALPBDRDQPME-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112981649
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
4-fluoro-N-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134014869
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041
5-(4-aminopiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-methylbenzenesulfonamide
CID 119376231
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
CID 112809859
N-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 39008817
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 27671578
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 9336358) is N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is CESALPBDRDQPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-3-23-10-12-24(13-11-23)20(25)16-4-7-18(8-5-16)22-28(26,27)19-9-6-17(21)14-15(19)2/h4-9,14,22H,3,10-13H2,1-2H3.
What are the key properties of N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 9336358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).