5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide

C10H13ClFNO3S — CID 110759335

IUPAC5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFNO3S/c1-16-6-2-5-13-17(14,15)10-7-8(11)3-4-9(10)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyYNCYWKCRUYXIOW-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.79
Rot. Bonds6

About 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide

5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 110759335) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID110759335
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC Name5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C10H13ClFNO3S/c1-16-6-2-5-13-17(14,15)10-7-8(11)3-4-9(10)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyYNCYWKCRUYXIOW-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
2,4-dichloro-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235233
4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 106054066
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
1-(4-chlorophenyl)-N-(3-methoxypropyl)methanesulfonamide
CID 18891255
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide (CID 110759335) is 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is YNCYWKCRUYXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c1-16-6-2-5-13-17(14,15)10-7-8(11)3-4-9(10)12/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 281.74 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 110759335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).