1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide

C14H10BrClF2N4O4S — CID 175471127

IUPAC1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC(F)F)c1Br
InChIInChI=1S/C14H10BrClF2N4O4S/c1-25-11-10(15)12(26-13(17)18)21-14(20-11)22-5-9(27(19,23)24)7-3-2-6(16)4-8(7)22/h2-5,13H,1H3,(H2,19,23,24)
InChIKeyNCXVZOYAHWZBKC-UHFFFAOYSA-N
MW483.68 g/mol
LogP3.09
Rot. Bonds5

About 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide

1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide (PubChem CID 175471127) has the molecular formula C14H10BrClF2N4O4S and a molecular weight of 483.68 g/mol. Its IUPAC name is 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide.

Molecular Properties

Compound Name1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
PubChem CID175471127
Molecular FormulaC14H10BrClF2N4O4S
Molecular Weight483.68 g/mol
Exact Mass481.93
IUPAC Name1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC(F)F)c1Br
InChIInChI=1S/C14H10BrClF2N4O4S/c1-25-11-10(15)12(26-13(17)18)21-14(20-11)22-5-9(27(19,23)24)7-3-2-6(16)4-8(7)22/h2-5,13H,1H3,(H2,19,23,24)
InChIKeyNCXVZOYAHWZBKC-UHFFFAOYSA-N
XLogP3.09
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20240025883, Example 125
CID 164907829
US20240025883, Example 59
CID 164907852
US20240025883, Example 64
CID 164907860
US20240025883, Example 42
CID 164907904
US20240025883, Example 210
CID 164907913
US20240025883, Example 279
CID 164907923
US20240025883, Example 275
CID 164907927
US20240025883, Example 232
CID 164907941
US20240025883, Example 262
CID 164907946
US20240025883, Example 63
CID 164907951
US20240025883, Example 61
CID 164907952
US20240025883, Example 108
CID 164907985

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide?
The IUPAC name of 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide (CID 175471127) is 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide.
What is the SMILES notation for 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide?
The canonical SMILES for 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC(F)F)c1Br.
What is the InChIKey of 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide?
The InChIKey is NCXVZOYAHWZBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N4O4S/c1-25-11-10(15)12(26-13(17)18)21-14(20-11)22-5-9(27(19,23)24)7-3-2-6(16)4-8(7)22/h2-5,13H,1H3,(H2,19,23,24).
What are the key properties of 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide?
1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide has a molecular weight of 483.68 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide is sourced from PubChem (CID 175471127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).