N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide

C18H19F2N5O4S — CID 42647200

IUPACN-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)N3CCCC3)c2F)cn1
InChIInChI=1S/C18H19F2N5O4S/c1-11(26)22-15-7-4-12(10-21-15)23-18(27)16-13(19)5-6-14(17(16)20)24-30(28,29)25-8-2-3-9-25/h4-7,10,24H,2-3,8-9H2,1H3,(H,23,27)(H,21,22,26)
InChIKeyPBKBNNYYCCLINX-UHFFFAOYSA-N
MW439.44 g/mol
LogP2.32
Rot. Bonds6

About N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide

N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide (PubChem CID 42647200) has the molecular formula C18H19F2N5O4S and a molecular weight of 439.44 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
PubChem CID42647200
Molecular FormulaC18H19F2N5O4S
Molecular Weight439.44 g/mol
Exact Mass439.11
IUPAC NameN-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)N3CCCC3)c2F)cn1
InChIInChI=1S/C18H19F2N5O4S/c1-11(26)22-15-7-4-12(10-21-15)23-18(27)16-13(19)5-6-14(17(16)20)24-30(28,29)25-8-2-3-9-25/h4-7,10,24H,2-3,8-9H2,1H3,(H,23,27)(H,21,22,26)
InChIKeyPBKBNNYYCCLINX-UHFFFAOYSA-N
XLogP2.32
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
CID 42646968
6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418562
N-(6-acetamido-3-pyridinyl)-3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluorobenzamide
CID 59418548
6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418536
N-(6-acetamido-3-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]sulfonylamino]-2,6-difluorobenzamide
CID 59418486
N-[3-(5-cyano-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]pyrrolidine-1-sulfonamide
CID 46913145
N-[4-fluoro-3-(piperazin-1-ylsulfonylamino)phenyl]acetamide
CID 61252527
N-[6-(butan-2-ylamino)-3-pyridinyl]-6-chloro-2-fluoro-3-(propylsulfonylamino)benzamide
CID 126647700
N-[5-[2-[2,6-difluoro-3-(pyridin-3-ylsulfonylamino)phenyl]-2-oxoethyl]-2-pyridinyl]acetamide
CID 147217338
N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 59418510
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
6-chloro-N-[6-(2,3-dihydrothiophen-5-ylmethylamino)-3-pyridinyl]-2-fluoro-3-(propylsulfonylamino)benzamide
CID 71035930

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide (CID 42647200) is N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide is CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)N3CCCC3)c2F)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide?
The InChIKey is PBKBNNYYCCLINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O4S/c1-11(26)22-15-7-4-12(10-21-15)23-18(27)16-13(19)5-6-14(17(16)20)24-30(28,29)25-8-2-3-9-25/h4-7,10,24H,2-3,8-9H2,1H3,(H,23,27)(H,21,22,26).
What are the key properties of N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide?
N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide has a molecular weight of 439.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)benzamide is sourced from PubChem (CID 42647200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).