5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C11H13ClFNO3S — CID 110759337

IUPAC5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFNO3S/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyWTSZGFUJCSUDKB-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 110759337) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID110759337
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H13ClFNO3S/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyWTSZGFUJCSUDKB-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
5-chloro-3-(hydroxymethyl)-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82891386
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 110759337) is 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCO1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is WTSZGFUJCSUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-8-3-4-10(13)11(6-8)18(15,16)14-7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of 5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 293.75 g/mol, XLogP of 1.94, 4 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-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110759337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).