3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C10H11ClF3NO3S — CID 103834007

IUPAC3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO3S/c1-6-7(11)3-2-4-8(6)19(17,18)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3
InChIKeyROMBSQDKHZVYIT-UHFFFAOYSA-N
MW317.72 g/mol
LogP1.85
Rot. Bonds4

About 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834007) has the molecular formula C10H11ClF3NO3S and a molecular weight of 317.72 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834007
Molecular FormulaC10H11ClF3NO3S
Molecular Weight317.72 g/mol
Exact Mass317.01
IUPAC Name3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO3S/c1-6-7(11)3-2-4-8(6)19(17,18)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3
InChIKeyROMBSQDKHZVYIT-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834007) is 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is ROMBSQDKHZVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO3S/c1-6-7(11)3-2-4-8(6)19(17,18)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 317.72 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).