3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

C11H15ClF2N2O3S — CID 107478010

IUPAC3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(CCO)CC(F)F)cc1Cl
InChIInChI=1S/C11H15ClF2N2O3S/c1-7-9(12)4-8(5-10(7)15)20(18,19)16(2-3-17)6-11(13)14/h4-5,11,17H,2-3,6,15H2,1H3
InChIKeyIPHQBLUOESFJTM-UHFFFAOYSA-N
MW328.77 g/mol
LogP1.48
Rot. Bonds6

About 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 107478010) has the molecular formula C11H15ClF2N2O3S and a molecular weight of 328.77 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID107478010
Molecular FormulaC11H15ClF2N2O3S
Molecular Weight328.77 g/mol
Exact Mass328.05
IUPAC Name3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(CCO)CC(F)F)cc1Cl
InChIInChI=1S/C11H15ClF2N2O3S/c1-7-9(12)4-8(5-10(7)15)20(18,19)16(2-3-17)6-11(13)14/h4-5,11,17H,2-3,6,15H2,1H3
InChIKeyIPHQBLUOESFJTM-UHFFFAOYSA-N
XLogP1.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 107478010) is 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)N(CCO)CC(F)F)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is IPHQBLUOESFJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2N2O3S/c1-7-9(12)4-8(5-10(7)15)20(18,19)16(2-3-17)6-11(13)14/h4-5,11,17H,2-3,6,15H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 328.77 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107478010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).