N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide

C14H12F2N2O3S — CID 1265569

IUPACN-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H12F2N2O3S/c1-22(20,21)18-10-4-2-9(3-5-10)14(19)17-11-6-7-12(15)13(16)8-11/h2-8,18H,1H3,(H,17,19)
InChIKeyGRNXGVXJOPRDFZ-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.59
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide

N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide (PubChem CID 1265569) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
PubChem CID1265569
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC NameN-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H12F2N2O3S/c1-22(20,21)18-10-4-2-9(3-5-10)14(19)17-11-6-7-12(15)13(16)8-11/h2-8,18H,1H3,(H,17,19)
InChIKeyGRNXGVXJOPRDFZ-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
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
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide (CID 1265569) is N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is GRNXGVXJOPRDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-22(20,21)18-10-4-2-9(3-5-10)14(19)17-11-6-7-12(15)13(16)8-11/h2-8,18H,1H3,(H,17,19).
What are the key properties of N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide?
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 326.32 g/mol, XLogP of 2.59, 4 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-(methanesulfonamido)benzamide is sourced from PubChem (CID 1265569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).