2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride

C15H19ClN4O4S — CID 120729448

IUPAC2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
SMILESCc1oc(C(=O)N2CCNCC2c2cccnc2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C15H18N4O4S.ClH/c1-10-14(24(16,21)22)7-13(23-10)15(20)19-6-5-18-9-12(19)11-3-2-4-17-8-11;/h2-4,7-8,12,18H,5-6,9H2,1H3,(H2,16,21,22);1H
InChIKeyJKBOJWBWTOTVKM-UHFFFAOYSA-N
MW386.86 g/mol
LogP0.84
Rot. Bonds3

About 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride

2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride (PubChem CID 120729448) has the molecular formula C15H19ClN4O4S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
PubChem CID120729448
Molecular FormulaC15H19ClN4O4S
Molecular Weight386.86 g/mol
Exact Mass386.08
IUPAC Name2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
SMILESCc1oc(C(=O)N2CCNCC2c2cccnc2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C15H18N4O4S.ClH/c1-10-14(24(16,21)22)7-13(23-10)15(20)19-6-5-18-9-12(19)11-3-2-4-17-8-11;/h2-4,7-8,12,18H,5-6,9H2,1H3,(H2,16,21,22);1H
InChIKeyJKBOJWBWTOTVKM-UHFFFAOYSA-N
XLogP0.84
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730947
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methylfuran-3-sulfonamide
CID 120733131
2-methyl-5-(2-methylpiperazine-1-carbonyl)furan-3-sulfonamide
CID 119473665
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride?
The IUPAC name of 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride (CID 120729448) is 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride is Cc1oc(C(=O)N2CCNCC2c2cccnc2)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride?
The InChIKey is JKBOJWBWTOTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S.ClH/c1-10-14(24(16,21)22)7-13(23-10)15(20)19-6-5-18-9-12(19)11-3-2-4-17-8-11;/h2-4,7-8,12,18H,5-6,9H2,1H3,(H2,16,21,22);1H.
What are the key properties of 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride?
2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride has a molecular weight of 386.86 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120729448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).