N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

C20H19ClN4O3S2 — CID 55924296

IUPACN-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C20H19ClN4O3S2/c21-17-6-2-7-18(22-17)24-9-11-25(12-10-24)20(26)15-4-1-5-16(14-15)23-30(27,28)19-8-3-13-29-19/h1-8,13-14,23H,9-12H2
InChIKeyJQVADRWJHIBJLA-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.56
Rot. Bonds5

About N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (PubChem CID 55924296) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
PubChem CID55924296
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC NameN-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C20H19ClN4O3S2/c21-17-6-2-7-18(22-17)24-9-11-25(12-10-24)20(26)15-4-1-5-16(14-15)23-30(27,28)19-8-3-13-29-19/h1-8,13-14,23H,9-12H2
InChIKeyJQVADRWJHIBJLA-UHFFFAOYSA-N
XLogP3.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55794078
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120814349
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 113011285
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 25405161
N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
CID 155947417
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 36818842

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (CID 55924296) is N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is JQVADRWJHIBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c21-17-6-2-7-18(22-17)24-9-11-25(12-10-24)20(26)15-4-1-5-16(14-15)23-30(27,28)19-8-3-13-29-19/h1-8,13-14,23H,9-12H2.
What are the key properties of N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 462.98 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55924296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).