3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide

C10H12ClF2NO3S — CID 103836795

IUPAC3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H12ClF2NO3S/c1-6-7(11)3-2-4-9(6)18(16,17)14-5-8(15)10(12)13/h2-4,8,10,14-15H,5H2,1H3
InChIKeyKRNIUFMUZWPCFW-UHFFFAOYSA-N
MW299.73 g/mol
LogP1.55
Rot. Bonds5

About 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide

3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide (PubChem CID 103836795) has the molecular formula C10H12ClF2NO3S and a molecular weight of 299.73 g/mol. Its IUPAC name is 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
PubChem CID103836795
Molecular FormulaC10H12ClF2NO3S
Molecular Weight299.73 g/mol
Exact Mass299.02
IUPAC Name3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C10H12ClF2NO3S/c1-6-7(11)3-2-4-9(6)18(16,17)14-5-8(15)10(12)13/h2-4,8,10,14-15H,5H2,1H3
InChIKeyKRNIUFMUZWPCFW-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide (CID 103836795) is 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide?
The InChIKey is KRNIUFMUZWPCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO3S/c1-6-7(11)3-2-4-9(6)18(16,17)14-5-8(15)10(12)13/h2-4,8,10,14-15H,5H2,1H3.
What are the key properties of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide?
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide has a molecular weight of 299.73 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103836795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).