2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide

C12H15Cl2F2NO3S — CID 107483495

IUPAC2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C12H15Cl2F2NO3S/c1-7-5-9(13)8(2)12(11(7)14)21(19,20)17(3-4-18)6-10(15)16/h5,10,18H,3-4,6H2,1-2H3
InChIKeyLJWNSTIQNYDUCN-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.86
Rot. Bonds6

About 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 107483495) has the molecular formula C12H15Cl2F2NO3S and a molecular weight of 362.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide
PubChem CID107483495
Molecular FormulaC12H15Cl2F2NO3S
Molecular Weight362.23 g/mol
Exact Mass361.01
IUPAC Name2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C12H15Cl2F2NO3S/c1-7-5-9(13)8(2)12(11(7)14)21(19,20)17(3-4-18)6-10(15)16/h5,10,18H,3-4,6H2,1-2H3
InChIKeyLJWNSTIQNYDUCN-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 61039183
3-amino-2,4-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477979
N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
CID 55104182
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,5-dimethoxybenzenesulfonamide
CID 166223276
lithium;2,5-dichloro-3,6-dimethylbenzenesulfonic acid;hydride
CID 174049527
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
lithium 2,5-dichloro-3,6-dimethylbenzenesulfonate
CID 162685742
2-[(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-methylamino]propanoic acid
CID 62626066
N-(2,2-difluoroethyl)-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 107481599
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 107483531

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide (CID 107483495) is 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)N(CCO)CC(F)F)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is LJWNSTIQNYDUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F2NO3S/c1-7-5-9(13)8(2)12(11(7)14)21(19,20)17(3-4-18)6-10(15)16/h5,10,18H,3-4,6H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 362.23 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107483495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).