5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide

C10H10ClF2NO2S — CID 105118067

IUPAC5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cc(CCl)cc(F)c1F
InChIInChI=1S/C10H10ClF2NO2S/c11-5-6-3-8(12)10(13)9(4-6)17(15,16)14-7-1-2-7/h3-4,7,14H,1-2,5H2
InChIKeyBNPOIWLMHOJPNM-UHFFFAOYSA-N
MW281.71 g/mol
LogP2.14
Rot. Bonds4

About 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide

5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide (PubChem CID 105118067) has the molecular formula C10H10ClF2NO2S and a molecular weight of 281.71 g/mol. Its IUPAC name is 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide
PubChem CID105118067
Molecular FormulaC10H10ClF2NO2S
Molecular Weight281.71 g/mol
Exact Mass281.01
IUPAC Name5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cc(CCl)cc(F)c1F
InChIInChI=1S/C10H10ClF2NO2S/c11-5-6-3-8(12)10(13)9(4-6)17(15,16)14-7-1-2-7/h3-4,7,14H,1-2,5H2
InChIKeyBNPOIWLMHOJPNM-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 105118065
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
2-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 105118472
3-(cyclopentylsulfamoyl)-4,5-difluorobenzoic acid
CID 104654330
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
N-butyl-5-[(cyclopropylamino)methyl]-2,3-difluorobenzenesulfonamide
CID 105120221
1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine
CID 105118250
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide (CID 105118067) is 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide is O=S(=O)(NC1CC1)c1cc(CCl)cc(F)c1F.
What is the InChIKey of 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide?
The InChIKey is BNPOIWLMHOJPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2S/c11-5-6-3-8(12)10(13)9(4-6)17(15,16)14-7-1-2-7/h3-4,7,14H,1-2,5H2.
What are the key properties of 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide?
5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide has a molecular weight of 281.71 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 105118067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).