1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide

C12H11BrClF2N3O2S — CID 156905492

IUPAC1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(c2nn(CC(F)F)c3c(Br)ccc(Cl)c23)CC1
InChIInChI=1S/C12H11BrClF2N3O2S/c13-6-1-2-7(14)9-10(6)19(5-8(15)16)18-11(9)12(3-4-12)22(17,20)21/h1-2,8H,3-5H2,(H2,17,20,21)
InChIKeyDXJVYZAPZOHMDQ-UHFFFAOYSA-N
MW414.66 g/mol
LogP2.99
Rot. Bonds4

About 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide

1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide (PubChem CID 156905492) has the molecular formula C12H11BrClF2N3O2S and a molecular weight of 414.66 g/mol. Its IUPAC name is 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide
PubChem CID156905492
Molecular FormulaC12H11BrClF2N3O2S
Molecular Weight414.66 g/mol
Exact Mass412.94
IUPAC Name1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(c2nn(CC(F)F)c3c(Br)ccc(Cl)c23)CC1
InChIInChI=1S/C12H11BrClF2N3O2S/c13-6-1-2-7(14)9-10(6)19(5-8(15)16)18-11(9)12(3-4-12)22(17,20)21/h1-2,8H,3-5H2,(H2,17,20,21)
InChIKeyDXJVYZAPZOHMDQ-UHFFFAOYSA-N
XLogP2.99
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide?
The IUPAC name of 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide (CID 156905492) is 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide?
The canonical SMILES for 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide is NS(=O)(=O)C1(c2nn(CC(F)F)c3c(Br)ccc(Cl)c23)CC1.
What is the InChIKey of 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide?
The InChIKey is DXJVYZAPZOHMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClF2N3O2S/c13-6-1-2-7(14)9-10(6)19(5-8(15)16)18-11(9)12(3-4-12)22(17,20)21/h1-2,8H,3-5H2,(H2,17,20,21).
What are the key properties of 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide?
1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide has a molecular weight of 414.66 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 156905492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).