1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene

C9H10Cl2F2N2O3S — CID 84584788

IUPAC1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C9H10Cl2F2N2O3S/c1-15(2)19(16,17)14-5-3-6(10)8(7(11)4-5)18-9(12)13/h3-4,9,14H,1-2H3
InChIKeyRXMJIJCUXKXECZ-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.81
Rot. Bonds5

About 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene

1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene (PubChem CID 84584788) has the molecular formula C9H10Cl2F2N2O3S and a molecular weight of 335.16 g/mol. Its IUPAC name is 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene
PubChem CID84584788
Molecular FormulaC9H10Cl2F2N2O3S
Molecular Weight335.16 g/mol
Exact Mass333.98
IUPAC Name1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C9H10Cl2F2N2O3S/c1-15(2)19(16,17)14-5-3-6(10)8(7(11)4-5)18-9(12)13/h3-4,9,14H,1-2H3
InChIKeyRXMJIJCUXKXECZ-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
CID 83086658
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
3,5-dichloro-4-(difluoromethoxy)-N-(3-methylpentan-2-yl)aniline
CID 63449963
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
1-chloro-4-(dimethylsulfamoylamino)-2-hydroxybenzene
CID 64787894
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
3,5-dichloro-4-(difluoromethoxy)-N-(3-methoxy-2-methylpropyl)aniline
CID 116501176
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
CID 79843771
3,5-dichloro-4-(difluoromethoxy)-N-[1-(furan-2-yl)ethyl]aniline
CID 60935902
3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 61104305
1-chloro-5-(dimethylsulfamoylamino)-2,4-dimethoxybenzene
CID 35767285

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene (CID 84584788) is 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene?
The InChIKey is RXMJIJCUXKXECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F2N2O3S/c1-15(2)19(16,17)14-5-3-6(10)8(7(11)4-5)18-9(12)13/h3-4,9,14H,1-2H3.
What are the key properties of 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene?
1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene has a molecular weight of 335.16 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(difluoromethoxy)-5-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 84584788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).