N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide

C18H22N4O3S — CID 120732145

IUPACN-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-21-26(24,25)16-7-5-14(6-8-16)18(23)22-11-10-20-13-17(22)15-4-3-9-19-12-15/h3-9,12,17,20-21H,2,10-11,13H2,1H3
InChIKeyXFMXTPKLGVEPRD-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.17
Rot. Bonds5

About N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide

N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 120732145) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID120732145
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H22N4O3S/c1-2-21-26(24,25)16-7-5-14(6-8-16)18(23)22-11-10-20-13-17(22)15-4-3-9-19-12-15/h3-9,12,17,20-21H,2,10-11,13H2,1H3
InChIKeyXFMXTPKLGVEPRD-UHFFFAOYSA-N
XLogP1.17
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
CID 120731351
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 120731688
N-prop-2-enyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120729692
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
2,2-dimethyl-N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 120729451
N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120732089
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 120731577
[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730841

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 120732145) is N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is XFMXTPKLGVEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-21-26(24,25)16-7-5-14(6-8-16)18(23)22-11-10-20-13-17(22)15-4-3-9-19-12-15/h3-9,12,17,20-21H,2,10-11,13H2,1H3.
What are the key properties of N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 120732145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).