N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide

C8H10ClFN2O2S — CID 88577306

IUPACN-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(CNCl)ccc1F
InChIInChI=1S/C8H10ClFN2O2S/c1-15(13,14)12-8-4-6(5-11-9)2-3-7(8)10/h2-4,11-12H,5H2,1H3
InChIKeyLTOSICMFBDMACE-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.44
Rot. Bonds4

About N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide

N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide (PubChem CID 88577306) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide
PubChem CID88577306
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC NameN-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(CNCl)ccc1F
InChIInChI=1S/C8H10ClFN2O2S/c1-15(13,14)12-8-4-6(5-11-9)2-3-7(8)10/h2-4,11-12H,5H2,1H3
InChIKeyLTOSICMFBDMACE-UHFFFAOYSA-N
XLogP1.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
3-amino-4-[5-[(chloroamino)methyl]-2-fluoroanilino]cyclobut-3-ene-1,2-dione
CID 88577317
2-(4-chlorophenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]ethanethioamide
CID 11855579
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
N-[4-(cyanomethyl)-2-fluorophenyl]methanesulfonamide
CID 91179727
N-[5-(3-chloro-2-oxopropyl)-2-methylphenyl]methanesulfonamide
CID 59878668
(E)-3-(4-chlorophenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enethioamide
CID 11855578

Frequently Asked Questions

What is the IUPAC name of N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide (CID 88577306) is N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(CNCl)ccc1F.
What is the InChIKey of N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is LTOSICMFBDMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c1-15(13,14)12-8-4-6(5-11-9)2-3-7(8)10/h2-4,11-12H,5H2,1H3.
What are the key properties of N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide?
N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 252.70 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(chloroamino)methyl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 88577306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).