6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

C15H12ClF3N4O4S — CID 170682438

IUPAC6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(F)c1COC(F)F
InChIInChI=1S/C15H12ClF3N4O4S/c1-26-13-9(6-27-14(18)19)12(17)21-15(22-13)23-28(24,25)11-5-20-10-4-7(16)2-3-8(10)11/h2-5,14,20H,6H2,1H3,(H,21,22,23)
InChIKeyLYTBXFUYKXNTFQ-UHFFFAOYSA-N
MW436.80 g/mol
LogP3.30
Rot. Bonds7

About 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 170682438) has the molecular formula C15H12ClF3N4O4S and a molecular weight of 436.80 g/mol. Its IUPAC name is 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID170682438
Molecular FormulaC15H12ClF3N4O4S
Molecular Weight436.80 g/mol
Exact Mass436.02
IUPAC Name6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(F)c1COC(F)F
InChIInChI=1S/C15H12ClF3N4O4S/c1-26-13-9(6-27-14(18)19)12(17)21-15(22-13)23-28(24,25)11-5-20-10-4-7(16)2-3-8(10)11/h2-5,14,20H,6H2,1H3,(H,21,22,23)
InChIKeyLYTBXFUYKXNTFQ-UHFFFAOYSA-N
XLogP3.30
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
N-[5-bromo-4-(1,1-difluoroethyl)-6-methoxypyrimidin-2-yl]-6-chloro-1H-indole-3-sulfonamide
CID 164908387
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 175471124
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
6-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
6-chloro-N-[5-(3-fluoropropoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164908450
6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791
6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135201227
6-bromo-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907891

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 170682438) is 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(F)c1COC(F)F.
What is the InChIKey of 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is LYTBXFUYKXNTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O4S/c1-26-13-9(6-27-14(18)19)12(17)21-15(22-13)23-28(24,25)11-5-20-10-4-7(16)2-3-8(10)11/h2-5,14,20H,6H2,1H3,(H,21,22,23).
What are the key properties of 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 436.80 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 170682438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).