N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide

C24H20Cl2F2N4O5S — CID 11678716

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc3oc4c(OC(F)F)ccc(C(=O)Nc5c(Cl)cncc5Cl)c4c3c2)CC1
InChIInChI=1S/C24H20Cl2F2N4O5S/c1-31-6-8-32(9-7-31)38(34,35)13-2-4-18-15(10-13)20-14(3-5-19(22(20)36-18)37-24(27)28)23(33)30-21-16(25)11-29-12-17(21)26/h2-5,10-12,24H,6-9H2,1H3,(H,29,30,33)
InChIKeyFKDPIMUNZPWQDS-UHFFFAOYSA-N
MW585.42 g/mol
LogP5.08
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide (PubChem CID 11678716) has the molecular formula C24H20Cl2F2N4O5S and a molecular weight of 585.42 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
PubChem CID11678716
Molecular FormulaC24H20Cl2F2N4O5S
Molecular Weight585.42 g/mol
Exact Mass584.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
SMILESCN1CCN(S(=O)(=O)c2ccc3oc4c(OC(F)F)ccc(C(=O)Nc5c(Cl)cncc5Cl)c4c3c2)CC1
InChIInChI=1S/C24H20Cl2F2N4O5S/c1-31-6-8-32(9-7-31)38(34,35)13-2-4-18-15(10-13)20-14(3-5-19(22(20)36-18)37-24(27)28)23(33)30-21-16(25)11-29-12-17(21)26/h2-5,10-12,24H,6-9H2,1H3,(H,29,30,33)
InChIKeyFKDPIMUNZPWQDS-UHFFFAOYSA-N
XLogP5.08
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide with MolForge

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Related Compounds

3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
CID 123491984
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
CID 143212775
2-chloro-N-(3-fluorophenyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969383

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide (CID 11678716) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide is CN1CCN(S(=O)(=O)c2ccc3oc4c(OC(F)F)ccc(C(=O)Nc5c(Cl)cncc5Cl)c4c3c2)CC1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide?
The InChIKey is FKDPIMUNZPWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F2N4O5S/c1-31-6-8-32(9-7-31)38(34,35)13-2-4-18-15(10-13)20-14(3-5-19(22(20)36-18)37-24(27)28)23(33)30-21-16(25)11-29-12-17(21)26/h2-5,10-12,24H,6-9H2,1H3,(H,29,30,33).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide has a molecular weight of 585.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide is sourced from PubChem (CID 11678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).