4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide

C14H20Cl2N4O3S — CID 47078827

IUPAC4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C14H20Cl2N4O3S/c1-3-19(4-2)24(22,23)20-9-7-18(8-10-20)14(21)11-5-6-12(15)17-13(11)16/h5-6H,3-4,7-10H2,1-2H3
InChIKeyBWCSDFYCJYIRSD-UHFFFAOYSA-N
MW395.31 g/mol
LogP1.73
Rot. Bonds5

About 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide

4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 47078827) has the molecular formula C14H20Cl2N4O3S and a molecular weight of 395.31 g/mol. Its IUPAC name is 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
PubChem CID47078827
Molecular FormulaC14H20Cl2N4O3S
Molecular Weight395.31 g/mol
Exact Mass394.06
IUPAC Name4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C14H20Cl2N4O3S/c1-3-19(4-2)24(22,23)20-9-7-18(8-10-20)14(21)11-5-6-12(15)17-13(11)16/h5-6H,3-4,7-10H2,1-2H3
InChIKeyBWCSDFYCJYIRSD-UHFFFAOYSA-N
XLogP1.73
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993762
4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 41469728
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 106993810
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
CID 17492386
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
4-(5-chloro-1-benzofuran-2-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 17491607
(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993357
4-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
CID 41469777
4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33006202
N,N-diethyl-4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598472
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide (CID 47078827) is 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is BWCSDFYCJYIRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O3S/c1-3-19(4-2)24(22,23)20-9-7-18(8-10-20)14(21)11-5-6-12(15)17-13(11)16/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 395.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 47078827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).