2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide

C9H9Cl2F2NO3S — CID 10267972

IUPAC2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C9H9Cl2F2NO3S/c1-14(2)18(15,16)8-4-5(10)7(3-6(8)11)17-9(12)13/h3-4,9H,1-2H3
InChIKeyXGYVGRIIBLPSMT-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.85
Rot. Bonds4

About 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide

2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide (PubChem CID 10267972) has the molecular formula C9H9Cl2F2NO3S and a molecular weight of 320.14 g/mol. Its IUPAC name is 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide
PubChem CID10267972
Molecular FormulaC9H9Cl2F2NO3S
Molecular Weight320.14 g/mol
Exact Mass318.96
IUPAC Name2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Cl)c(OC(F)F)cc1Cl
InChIInChI=1S/C9H9Cl2F2NO3S/c1-14(2)18(15,16)8-4-5(10)7(3-6(8)11)17-9(12)13/h3-4,9H,1-2H3
InChIKeyXGYVGRIIBLPSMT-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-Dichloro-4-methoxyphenyl)sulfonyl]morpholine
CID 802598
1-(2,3-Dichloro-4-methoxyphenyl)sulfonylpyrrolidine
CID 848233
1-(2,5-Dichloro-4-methoxyphenyl)sulfonylpyrrolidine
CID 700213
2,5-Dichloro-4-methoxybenzene-1-sulfonyl chloride
CID 43134433
4-[(2,5-Dichloro-4-methoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2931929
2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide
CID 802891
1-((2,5-Dichloro-4-methoxyphenyl)sulfonyl)piperidine
CID 4528045
O-(2,5-dichloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate
CID 305713
3-Chloro-4-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 20119141
2,5-Dichloro-4-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 82912671
2,5-dichloro-N-cyclohexyl-N-ethyl-4-methoxybenzenesulfonamide
CID 1290049
1-((2,5-Dichloro-4-methoxyphenyl)sulfonyl)-3-methylpiperidine
CID 2921860

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide (CID 10267972) is 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(Cl)c(OC(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
The InChIKey is XGYVGRIIBLPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F2NO3S/c1-14(2)18(15,16)8-4-5(10)7(3-6(8)11)17-9(12)13/h3-4,9H,1-2H3.
What are the key properties of 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide has a molecular weight of 320.14 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 10267972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).