1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide

C20H16F4N6O5S — CID 177249862

IUPAC1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(C(F)F)c(-c4ncccn4)c32)nc(OC)c1OC(F)F
InChIInChI=1S/C20H16F4N6O5S/c1-33-17-14(35-19(23)24)18(34-2)29-20(28-17)30-8-11(36(25,31)32)9-4-5-10(15(21)22)12(13(9)30)16-26-6-3-7-27-16/h3-8,15,19H,1-2H3,(H2,25,31,32)
InChIKeyMIMBBPGFHLQBJX-UHFFFAOYSA-N
MW528.44 g/mol
LogP3.08
Rot. Bonds8

About 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide

1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide (PubChem CID 177249862) has the molecular formula C20H16F4N6O5S and a molecular weight of 528.44 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide
PubChem CID177249862
Molecular FormulaC20H16F4N6O5S
Molecular Weight528.44 g/mol
Exact Mass528.08
IUPAC Name1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(C(F)F)c(-c4ncccn4)c32)nc(OC)c1OC(F)F
InChIInChI=1S/C20H16F4N6O5S/c1-33-17-14(35-19(23)24)18(34-2)29-20(28-17)30-8-11(36(25,31)32)9-4-5-10(15(21)22)12(13(9)30)16-26-6-3-7-27-16/h3-8,15,19H,1-2H3,(H2,25,31,32)
InChIKeyMIMBBPGFHLQBJX-UHFFFAOYSA-N
XLogP3.08
TPSA144.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide
CID 177249916
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide
CID 177249914
6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(1,2-oxazol-4-yl)indole-3-sulfonamide
CID 177249907
6-chloro-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-(difluoromethoxy)indole-3-sulfonamide
CID 175471111
6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
CID 177249830
1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471127
6-chloro-7-cyclopropyl-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471099
6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471323
6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471157
6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471120
6-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955
5-(2,2-difluoroethyl)-N-[[6-(difluoromethyl)-7-pyrimidin-2-yl-1H-indol-3-yl]sulfanyl]-4,6-dimethoxypyrimidin-2-amine
CID 170742676

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide?
The IUPAC name of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide (CID 177249862) is 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide.
What is the SMILES notation for 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide?
The canonical SMILES for 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(C(F)F)c(-c4ncccn4)c32)nc(OC)c1OC(F)F.
What is the InChIKey of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide?
The InChIKey is MIMBBPGFHLQBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N6O5S/c1-33-17-14(35-19(23)24)18(34-2)29-20(28-17)30-8-11(36(25,31)32)9-4-5-10(15(21)22)12(13(9)30)16-26-6-3-7-27-16/h3-8,15,19H,1-2H3,(H2,25,31,32).
What are the key properties of 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide?
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide has a molecular weight of 528.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide is sourced from PubChem (CID 177249862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).