N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide

C16H13F3N2O2S — CID 144662827

IUPACN-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(F)c(S(=O)NC2CC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F3N2O2S/c17-12-5-1-9(7-14(12)19)16(22)20-11-4-6-13(18)15(8-11)24(23)21-10-2-3-10/h1,4-8,10,21H,2-3H2,(H,20,22)
InChIKeySCRPVALMFLFIAX-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.13
Rot. Bonds5

About N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide

N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide (PubChem CID 144662827) has the molecular formula C16H13F3N2O2S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide
PubChem CID144662827
Molecular FormulaC16H13F3N2O2S
Molecular Weight354.35 g/mol
Exact Mass354.06
IUPAC NameN-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(F)c(S(=O)NC2CC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F3N2O2S/c17-12-5-1-9(7-14(12)19)16(22)20-11-4-6-13(18)15(8-11)24(23)21-10-2-3-10/h1,4-8,10,21H,2-3H2,(H,20,22)
InChIKeySCRPVALMFLFIAX-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
CID 137353706
3-(4-acetylcyclohexyl)sulfanyl-N-(3,4-difluorophenyl)-4-fluorobenzamide
CID 121370673
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]-3,4-difluorobenzamide
CID 110715466
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide?
The IUPAC name of N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide (CID 144662827) is N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide is O=C(Nc1ccc(F)c(S(=O)NC2CC2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide?
The InChIKey is SCRPVALMFLFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2S/c17-12-5-1-9(7-14(12)19)16(22)20-11-4-6-13(18)15(8-11)24(23)21-10-2-3-10/h1,4-8,10,21H,2-3H2,(H,20,22).
What are the key properties of N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide?
N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide has a molecular weight of 354.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide is sourced from PubChem (CID 144662827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).