5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide

C10H12ClF2NO4S — CID 115409024

IUPAC5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(CO)cc(Cl)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H12ClF2NO4S/c1-18-10-6(5-15)2-7(11)3-8(10)19(16,17)14-4-9(12)13/h2-3,9,14-15H,4-5H2,1H3
InChIKeyCAASXYIMTZUXOS-UHFFFAOYSA-N
MW315.73 g/mol
LogP1.38
Rot. Bonds6

About 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide

5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide (PubChem CID 115409024) has the molecular formula C10H12ClF2NO4S and a molecular weight of 315.73 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
PubChem CID115409024
Molecular FormulaC10H12ClF2NO4S
Molecular Weight315.73 g/mol
Exact Mass315.01
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(CO)cc(Cl)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H12ClF2NO4S/c1-18-10-6(5-15)2-7(11)3-8(10)19(16,17)14-4-9(12)13/h2-3,9,14-15H,4-5H2,1H3
InChIKeyCAASXYIMTZUXOS-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
5-chloro-3-(hydroxymethyl)-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65729207
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65738210
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65743646
5-chloro-3-(chloromethyl)-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65753452
3-(aminomethyl)-5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65774153
3-(aminomethyl)-5-chloro-2-methoxy-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 65799373
3-(aminomethyl)-5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65800639
5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75454689
5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75520559
5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 84600946
N-(3-(3-chlorophenyl)-3-hydroxypropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 91624411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide (CID 115409024) is 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide is COc1c(CO)cc(Cl)cc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The InChIKey is CAASXYIMTZUXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO4S/c1-18-10-6(5-15)2-7(11)3-8(10)19(16,17)14-4-9(12)13/h2-3,9,14-15H,4-5H2,1H3.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide has a molecular weight of 315.73 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 115409024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).