N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide

C18H17F3N2O3S — CID 90259156

IUPACN-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide
SMILESCCC1(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2F)CC1
InChIInChI=1S/C18H17F3N2O3S/c1-2-18(7-8-18)27(25,26)23-16-9-11(3-5-14(16)20)17(24)22-12-4-6-13(19)15(21)10-12/h3-6,9-10,23H,2,7-8H2,1H3,(H,22,24)
InChIKeySZVKQWPMZYHNKR-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.04
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide

N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide (PubChem CID 90259156) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide
PubChem CID90259156
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide
SMILESCCC1(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2F)CC1
InChIInChI=1S/C18H17F3N2O3S/c1-2-18(7-8-18)27(25,26)23-16-9-11(3-5-14(16)20)17(24)22-12-4-6-13(19)15(21)10-12/h3-6,9-10,23H,2,7-8H2,1H3,(H,22,24)
InChIKeySZVKQWPMZYHNKR-UHFFFAOYSA-N
XLogP4.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412
N-(3,4-difluorophenyl)-4-fluoro-3-(1-methylcyclobutyl)sulfanylbenzamide
CID 145095071
3-N-(3,4-difluorophenyl)-4-fluoro-1-N-(1-methylcyclobutyl)benzene-1,3-dicarboxamide
CID 76900732
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
CID 21236808
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide (CID 90259156) is N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide is CCC1(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2F)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide?
The InChIKey is SZVKQWPMZYHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-2-18(7-8-18)27(25,26)23-16-9-11(3-5-14(16)20)17(24)22-12-4-6-13(19)15(21)10-12/h3-6,9-10,23H,2,7-8H2,1H3,(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide?
N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide has a molecular weight of 398.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(1-ethylcyclopropyl)sulfonylamino]-4-fluorobenzamide is sourced from PubChem (CID 90259156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).