N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide

C13H13Cl2F2N3O5S2 — CID 15220191

IUPACN-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCn1nc(-c2ccc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(Cl)c1OC(F)F
InChIInChI=1S/C13H13Cl2F2N3O5S2/c1-19-12(25-13(16)17)10(15)11(18-19)7-4-5-8(14)9(6-7)20(26(2,21)22)27(3,23)24/h4-6,13H,1-3H3
InChIKeyABWJGIQKYGETTR-UHFFFAOYSA-N
MW464.30 g/mol
LogP2.72
Rot. Bonds6

About N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide

N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 15220191) has the molecular formula C13H13Cl2F2N3O5S2 and a molecular weight of 464.30 g/mol. Its IUPAC name is N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide
PubChem CID15220191
Molecular FormulaC13H13Cl2F2N3O5S2
Molecular Weight464.30 g/mol
Exact Mass462.96
IUPAC NameN-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCn1nc(-c2ccc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(Cl)c1OC(F)F
InChIInChI=1S/C13H13Cl2F2N3O5S2/c1-19-12(25-13(16)17)10(15)11(18-19)7-4-5-8(14)9(6-7)20(26(2,21)22)27(3,23)24/h4-6,13H,1-3H3
InChIKeyABWJGIQKYGETTR-UHFFFAOYSA-N
XLogP2.72
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide (CID 15220191) is N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide is Cn1nc(-c2ccc(Cl)c(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(Cl)c1OC(F)F.
What is the InChIKey of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is ABWJGIQKYGETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F2N3O5S2/c1-19-12(25-13(16)17)10(15)11(18-19)7-4-5-8(14)9(6-7)20(26(2,21)22)27(3,23)24/h4-6,13H,1-3H3.
What are the key properties of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide?
N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 464.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 15220191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).