6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide

C20H17ClF2N6O5S — CID 177249916

IUPAC6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)c(-c4cc(C)ncn4)c32)nc(OC)c1OC(F)F
InChIInChI=1S/C20H17ClF2N6O5S/c1-9-6-12(26-8-25-9)14-11(21)5-4-10-13(35(24,30)31)7-29(15(10)14)20-27-17(32-2)16(34-19(22)23)18(28-20)33-3/h4-8,19H,1-3H3,(H2,24,30,31)
InChIKeyZWAFUWHAFYDZPS-UHFFFAOYSA-N
MW526.91 g/mol
LogP3.11
Rot. Bonds7

About 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide

6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide (PubChem CID 177249916) has the molecular formula C20H17ClF2N6O5S and a molecular weight of 526.91 g/mol. Its IUPAC name is 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide
PubChem CID177249916
Molecular FormulaC20H17ClF2N6O5S
Molecular Weight526.91 g/mol
Exact Mass526.06
IUPAC Name6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)c(-c4cc(C)ncn4)c32)nc(OC)c1OC(F)F
InChIInChI=1S/C20H17ClF2N6O5S/c1-9-6-12(26-8-25-9)14-11(21)5-4-10-13(35(24,30)31)7-29(15(10)14)20-27-17(32-2)16(34-19(22)23)18(28-20)33-3/h4-8,19H,1-3H3,(H2,24,30,31)
InChIKeyZWAFUWHAFYDZPS-UHFFFAOYSA-N
XLogP3.11
TPSA144.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.91
LogP ≤ 53.11
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-(1,2-oxazol-4-yl)indole-3-sulfonamide
CID 177249907
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide
CID 177249862
6-chloro-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-(difluoromethoxy)indole-3-sulfonamide
CID 175471111
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide
CID 177249914
1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471127
6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
CID 177249830
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
1-[5-bromo-4-(cyclopropylmethyl)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471319
6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide
CID 175471384

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide?
The IUPAC name of 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide (CID 177249916) is 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide?
The canonical SMILES for 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)c(-c4cc(C)ncn4)c32)nc(OC)c1OC(F)F.
What is the InChIKey of 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide?
The InChIKey is ZWAFUWHAFYDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N6O5S/c1-9-6-12(26-8-25-9)14-11(21)5-4-10-13(35(24,30)31)7-29(15(10)14)20-27-17(32-2)16(34-19(22)23)18(28-20)33-3/h4-8,19H,1-3H3,(H2,24,30,31).
What are the key properties of 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide?
6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide has a molecular weight of 526.91 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide is sourced from PubChem (CID 177249916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).