N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide

C16H12F2N2O3S — CID 33314597

IUPACN-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H12F2N2O3S/c1-2-9-19-24(22,23)13-6-3-11(4-7-13)16(21)20-12-5-8-14(17)15(18)10-12/h1,3-8,10,19H,9H2,(H,20,21)
InChIKeyNYRDIUIVSNMDHB-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.13
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 33314597) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID33314597
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H12F2N2O3S/c1-2-9-19-24(22,23)13-6-3-11(4-7-13)16(21)20-12-5-8-14(17)15(18)10-12/h1,3-8,10,19H,9H2,(H,20,21)
InChIKeyNYRDIUIVSNMDHB-UHFFFAOYSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755
N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060210
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 46420748
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
3-fluoro-N-[3-[[[4-(prop-2-ynylsulfamoyl)benzoyl]amino]methyl]phenyl]benzamide
CID 55948629
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-[3-(diethylaminomethyl)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43073846
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-(prop-2-ynylsulfamoyl)pyrrole-2-carboxamide
CID 130421398
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 33314597) is N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is NYRDIUIVSNMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-2-9-19-24(22,23)13-6-3-11(4-7-13)16(21)20-12-5-8-14(17)15(18)10-12/h1,3-8,10,19H,9H2,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 350.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 33314597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).