6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide

C15H13ClF2N4O4S — CID 164908198

IUPAC6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC(F)F)c1C
InChIInChI=1S/C15H13ClF2N4O4S/c1-7-12(25-2)20-15(21-13(7)26-14(17)18)22-27(23,24)11-6-19-10-5-8(16)3-4-9(10)11/h3-6,14,19H,1-2H3,(H,20,21,22)
InChIKeyZCOZGKMNUJOFRH-UHFFFAOYSA-N
MW418.81 g/mol
LogP3.33
Rot. Bonds6

About 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide

6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide (PubChem CID 164908198) has the molecular formula C15H13ClF2N4O4S and a molecular weight of 418.81 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide
PubChem CID164908198
Molecular FormulaC15H13ClF2N4O4S
Molecular Weight418.81 g/mol
Exact Mass418.03
IUPAC Name6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC(F)F)c1C
InChIInChI=1S/C15H13ClF2N4O4S/c1-7-12(25-2)20-15(21-13(7)26-14(17)18)22-27(23,24)11-6-19-10-5-8(16)3-4-9(10)11/h3-6,14,19H,1-2H3,(H,20,21,22)
InChIKeyZCOZGKMNUJOFRH-UHFFFAOYSA-N
XLogP3.33
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide (CID 164908198) is 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nc(OC(F)F)c1C.
What is the InChIKey of 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
The InChIKey is ZCOZGKMNUJOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4O4S/c1-7-12(25-2)20-15(21-13(7)26-14(17)18)22-27(23,24)11-6-19-10-5-8(16)3-4-9(10)11/h3-6,14,19H,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide?
6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide has a molecular weight of 418.81 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethoxy)-6-methoxy-5-methylpyrimidin-2-yl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 164908198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).