N-(3-fluoro-5-formylphenyl)methanesulfonamide

C8H8FNO3S — CID 119084410

IUPACN-(3-fluoro-5-formylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(C=O)c1
InChIInChI=1S/C8H8FNO3S/c1-14(12,13)10-8-3-6(5-11)2-7(9)4-8/h2-5,10H,1H3
InChIKeyYDAPTVVQMDNUFP-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.01
Rot. Bonds3

About N-(3-fluoro-5-formylphenyl)methanesulfonamide

N-(3-fluoro-5-formylphenyl)methanesulfonamide (PubChem CID 119084410) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(3-fluoro-5-formylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-formylphenyl)methanesulfonamide
PubChem CID119084410
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC NameN-(3-fluoro-5-formylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(C=O)c1
InChIInChI=1S/C8H8FNO3S/c1-14(12,13)10-8-3-6(5-11)2-7(9)4-8/h2-5,10H,1H3
InChIKeyYDAPTVVQMDNUFP-UHFFFAOYSA-N
XLogP1.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-formyl-3-pyridinyl)methanesulfonamide
CID 90104124
3-[[(Z)-2-aminoethenyl]amino]-5-fluorobenzaldehyde
CID 144671351
N-(3,5-difluoro-4-methylphenyl)methanesulfonamide
CID 166140237
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
3,5-difluoro-4-methylsulfonylbenzaldehyde
CID 11499527
N-[3-formyl-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
CID 169152227
N-[3-(methanesulfonamido)-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 2805852
N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
CID 130662680
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-formylphenyl)methanesulfonamide?
The IUPAC name of N-(3-fluoro-5-formylphenyl)methanesulfonamide (CID 119084410) is N-(3-fluoro-5-formylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluoro-5-formylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-fluoro-5-formylphenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(F)cc(C=O)c1.
What is the InChIKey of N-(3-fluoro-5-formylphenyl)methanesulfonamide?
The InChIKey is YDAPTVVQMDNUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3S/c1-14(12,13)10-8-3-6(5-11)2-7(9)4-8/h2-5,10H,1H3.
What are the key properties of N-(3-fluoro-5-formylphenyl)methanesulfonamide?
N-(3-fluoro-5-formylphenyl)methanesulfonamide has a molecular weight of 217.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-formylphenyl)methanesulfonamide is sourced from PubChem (CID 119084410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).