7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

C15H13ClF2N4O3S — CID 164907985

IUPAC7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(Cl)cccc23)ncc1CC(F)F
InChIInChI=1S/C15H13ClF2N4O3S/c1-25-14-8(5-12(17)18)6-20-15(21-14)22-26(23,24)11-7-19-13-9(11)3-2-4-10(13)16/h2-4,6-7,12,19H,5H2,1H3,(H,20,21,22)
InChIKeyIQXIEWOWMGEPFF-UHFFFAOYSA-N
MW402.81 g/mol
LogP3.23
Rot. Bonds6

About 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 164907985) has the molecular formula C15H13ClF2N4O3S and a molecular weight of 402.81 g/mol. Its IUPAC name is 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID164907985
Molecular FormulaC15H13ClF2N4O3S
Molecular Weight402.81 g/mol
Exact Mass402.04
IUPAC Name7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(Cl)cccc23)ncc1CC(F)F
InChIInChI=1S/C15H13ClF2N4O3S/c1-25-14-8(5-12(17)18)6-20-15(21-14)22-26(23,24)11-7-19-13-9(11)3-2-4-10(13)16/h2-4,6-7,12,19H,5H2,1H3,(H,20,21,22)
InChIKeyIQXIEWOWMGEPFF-UHFFFAOYSA-N
XLogP3.23
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide with MolForge

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Related Compounds

US20240025883, Example 125
CID 164907829
US20240025883, Example 59
CID 164907852
US20240025883, Example 140
CID 164907859
US20240025883, Example 64
CID 164907860
US20240025883, Example 191
CID 164907896
US20240025883, Example 234
CID 164907898
US20240025883, Example 42
CID 164907904
US20240025883, Example 210
CID 164907913
US20240025883, Example 279
CID 164907923
US20240025883, Example 232
CID 164907941
US20240025883, Example 262
CID 164907946
US20240025883, Example 63
CID 164907951

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 164907985) is 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(Cl)cccc23)ncc1CC(F)F.
What is the InChIKey of 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is IQXIEWOWMGEPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4O3S/c1-25-14-8(5-12(17)18)6-20-15(21-14)22-26(23,24)11-7-19-13-9(11)3-2-4-10(13)16/h2-4,6-7,12,19H,5H2,1H3,(H,20,21,22).
What are the key properties of 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 402.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 164907985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).