N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide

C11H14Cl2F2N2O2S — CID 114384005

IUPACN-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCC(F)(F)CN)c1Cl
InChIInChI=1S/C11H14Cl2F2N2O2S/c1-6-3-8(12)7(2)10(9(6)13)20(18,19)17-5-11(14,15)4-16/h3,17H,4-5,16H2,1-2H3
InChIKeySEKGVFMIBUZAAX-UHFFFAOYSA-N
MW347.21 g/mol
LogP2.48
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide (PubChem CID 114384005) has the molecular formula C11H14Cl2F2N2O2S and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
PubChem CID114384005
Molecular FormulaC11H14Cl2F2N2O2S
Molecular Weight347.21 g/mol
Exact Mass346.01
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCC(F)(F)CN)c1Cl
InChIInChI=1S/C11H14Cl2F2N2O2S/c1-6-3-8(12)7(2)10(9(6)13)20(18,19)17-5-11(14,15)4-16/h3,17H,4-5,16H2,1-2H3
InChIKeySEKGVFMIBUZAAX-UHFFFAOYSA-N
XLogP2.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide (CID 114384005) is N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)NCC(F)(F)CN)c1Cl.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
The InChIKey is SEKGVFMIBUZAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2F2N2O2S/c1-6-3-8(12)7(2)10(9(6)13)20(18,19)17-5-11(14,15)4-16/h3,17H,4-5,16H2,1-2H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide has a molecular weight of 347.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 114384005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).