6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide

C17H17ClF2N4O4S — CID 175471323

IUPAC6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC)c1CCC(F)F
InChIInChI=1S/C17H17ClF2N4O4S/c1-27-15-11(5-6-14(19)20)16(28-2)23-17(22-15)24-8-13(29(21,25)26)10-4-3-9(18)7-12(10)24/h3-4,7-8,14H,5-6H2,1-2H3,(H2,21,25,26)
InChIKeyLRTDYHBSUCOUCO-UHFFFAOYSA-N
MW446.86 g/mol
LogP2.94
Rot. Bonds7

About 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide

6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide (PubChem CID 175471323) has the molecular formula C17H17ClF2N4O4S and a molecular weight of 446.86 g/mol. Its IUPAC name is 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
PubChem CID175471323
Molecular FormulaC17H17ClF2N4O4S
Molecular Weight446.86 g/mol
Exact Mass446.06
IUPAC Name6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC)c1CCC(F)F
InChIInChI=1S/C17H17ClF2N4O4S/c1-27-15-11(5-6-14(19)20)16(28-2)23-17(22-15)24-8-13(29(21,25)26)10-4-3-9(18)7-12(10)24/h3-4,7-8,14H,5-6H2,1-2H3,(H2,21,25,26)
InChIKeyLRTDYHBSUCOUCO-UHFFFAOYSA-N
XLogP2.94
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.86
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471120
1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471127
6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471157
1-[5-bromo-4-(cyclopropylmethyl)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471319
6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide
CID 175471384
6-chloro-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-(difluoromethoxy)indole-3-sulfonamide
CID 175471111
6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(6-methylpyrimidin-4-yl)indole-3-sulfonamide
CID 177249916
6-chloro-7-cyclopropyl-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471099
6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(1,2-oxazol-4-yl)indole-3-sulfonamide
CID 177249907
6-chloro-1-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
CID 177249830
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-7-pyrimidin-2-ylindole-3-sulfonamide
CID 177249862
1-[5-bromo-4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-6-chloroindole
CID 175788822

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
The IUPAC name of 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide (CID 175471323) is 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
The canonical SMILES for 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(OC)c1CCC(F)F.
What is the InChIKey of 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
The InChIKey is LRTDYHBSUCOUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N4O4S/c1-27-15-11(5-6-14(19)20)16(28-2)23-17(22-15)24-8-13(29(21,25)26)10-4-3-9(18)7-12(10)24/h3-4,7-8,14H,5-6H2,1-2H3,(H2,21,25,26).
What are the key properties of 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide?
6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide has a molecular weight of 446.86 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide is sourced from PubChem (CID 175471323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).