6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide

C16H13ClF4N4O3S — CID 175471124

IUPAC6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1C(F)C(F)C(F)F
InChIInChI=1S/C16H13ClF4N4O3S/c1-28-15-9(12(18)13(19)14(20)21)5-23-16(24-15)25-29(26,27)11-6-22-10-4-7(17)2-3-8(10)11/h2-6,12-14,22H,1H3,(H,23,24,25)
InChIKeyIPUDVUJKPIJNBJ-UHFFFAOYSA-N
MW452.82 g/mol
LogP4.03
Rot. Bonds7

About 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 175471124) has the molecular formula C16H13ClF4N4O3S and a molecular weight of 452.82 g/mol. Its IUPAC name is 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID175471124
Molecular FormulaC16H13ClF4N4O3S
Molecular Weight452.82 g/mol
Exact Mass452.03
IUPAC Name6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1C(F)C(F)C(F)F
InChIInChI=1S/C16H13ClF4N4O3S/c1-28-15-9(12(18)13(19)14(20)21)5-23-16(24-15)25-29(26,27)11-6-22-10-4-7(17)2-3-8(10)11/h2-6,12-14,22H,1H3,(H,23,24,25)
InChIKeyIPUDVUJKPIJNBJ-UHFFFAOYSA-N
XLogP4.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide with MolForge

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Related Compounds

N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 169225639
6-chloro-N-[5-(3-fluoropropoxy)-4-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164908450
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-[5-(difluoromethoxymethyl)-4-fluoro-6-methoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 170682438
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
6-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 164908180
N-[(6-chloro-1H-indol-3-yl)sulfanyl]-5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-amine
CID 164908361
6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135201440

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 175471124) is 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)ncc1C(F)C(F)C(F)F.
What is the InChIKey of 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is IPUDVUJKPIJNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N4O3S/c1-28-15-9(12(18)13(19)14(20)21)5-23-16(24-15)25-29(26,27)11-6-22-10-4-7(17)2-3-8(10)11/h2-6,12-14,22H,1H3,(H,23,24,25).
What are the key properties of 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 452.82 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 175471124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).