2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide

C14H13ClF2N2O4S2 — CID 4233155

IUPAC2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl
InChIInChI=1S/C14H13ClF2N2O4S2/c1-19(2)25(22,23)14-7-9(3-5-11(14)15)18-24(20,21)10-4-6-12(16)13(17)8-10/h3-8,18H,1-2H3
InChIKeyAHURQGJNQOZWJL-UHFFFAOYSA-N
MW410.85 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide

2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 4233155) has the molecular formula C14H13ClF2N2O4S2 and a molecular weight of 410.85 g/mol. Its IUPAC name is 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID4233155
Molecular FormulaC14H13ClF2N2O4S2
Molecular Weight410.85 g/mol
Exact Mass410.00
IUPAC Name2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl
InChIInChI=1S/C14H13ClF2N2O4S2/c1-19(2)25(22,23)14-7-9(3-5-11(14)15)18-24(20,21)10-4-6-12(16)13(17)8-10/h3-8,18H,1-2H3
InChIKeyAHURQGJNQOZWJL-UHFFFAOYSA-N
XLogP2.67
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide (CID 4233155) is 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is AHURQGJNQOZWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O4S2/c1-19(2)25(22,23)14-7-9(3-5-11(14)15)18-24(20,21)10-4-6-12(16)13(17)8-10/h3-8,18H,1-2H3.
What are the key properties of 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 410.85 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4233155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).