N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide

C17H17FN2O3S — CID 113094703

IUPACN-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(N(C(=O)c2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C17H17FN2O3S/c1-24(22,23)19-14-5-7-15(8-6-14)20(16-9-10-16)17(21)12-3-2-4-13(18)11-12/h2-8,11,16,19H,9-10H2,1H3
InChIKeyRKMRWONPDSLROI-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.01
Rot. Bonds5

About N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide

N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide (PubChem CID 113094703) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
PubChem CID113094703
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(N(C(=O)c2cccc(F)c2)C2CC2)cc1
InChIInChI=1S/C17H17FN2O3S/c1-24(22,23)19-14-5-7-15(8-6-14)20(16-9-10-16)17(21)12-3-2-4-13(18)11-12/h2-8,11,16,19H,9-10H2,1H3
InChIKeyRKMRWONPDSLROI-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094726
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113094693
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104
N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94822193
N-cyclopropyl-4-fluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094755
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
CID 113094770
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)-2-phenylacetamide
CID 113094790
2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide (CID 113094703) is N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide is CS(=O)(=O)Nc1ccc(N(C(=O)c2cccc(F)c2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide?
The InChIKey is RKMRWONPDSLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-24(22,23)19-14-5-7-15(8-6-14)20(16-9-10-16)17(21)12-3-2-4-13(18)11-12/h2-8,11,16,19H,9-10H2,1H3.
What are the key properties of N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide?
N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 113094703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).