N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

C19H24N4O3S — CID 9226582

IUPACN-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c1-2-21-27(25,26)18-5-3-17(4-6-18)19(24)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h3-10,21H,2,11-15H2,1H3
InChIKeyBHBKBWHFRFLECP-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.34
Rot. Bonds6

About N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 9226582) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID9226582
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C19H24N4O3S/c1-2-21-27(25,26)18-5-3-17(4-6-18)19(24)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h3-10,21H,2,11-15H2,1H3
InChIKeyBHBKBWHFRFLECP-UHFFFAOYSA-N
XLogP1.34
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 32771990
N-(3,4-dimethylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 134014932
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
N-ethyl-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 56534024
(4-bromophenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 52988481
N-ethyl-4-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 86884047
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109060439
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179
4-tert-butyl-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 134015012
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 27799353

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 9226582) is N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is BHBKBWHFRFLECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-2-21-27(25,26)18-5-3-17(4-6-18)19(24)23-13-11-22(12-14-23)15-16-7-9-20-10-8-16/h3-10,21H,2,11-15H2,1H3.
What are the key properties of N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 9226582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).