6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide

C18H17ClF2N4O3S — CID 175471120

IUPAC6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(C2CC2)c1CC(F)F
InChIInChI=1S/C18H17ClF2N4O3S/c1-28-17-12(7-15(20)21)16(9-2-3-9)23-18(24-17)25-8-14(29(22,26)27)11-5-4-10(19)6-13(11)25/h4-6,8-9,15H,2-3,7H2,1H3,(H2,22,26,27)
InChIKeyBJKQUQGYEIUGQB-UHFFFAOYSA-N
MW442.88 g/mol
LogP3.41
Rot. Bonds6

About 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide

6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide (PubChem CID 175471120) has the molecular formula C18H17ClF2N4O3S and a molecular weight of 442.88 g/mol. Its IUPAC name is 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide
PubChem CID175471120
Molecular FormulaC18H17ClF2N4O3S
Molecular Weight442.88 g/mol
Exact Mass442.07
IUPAC Name6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide
SMILESCOc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(C2CC2)c1CC(F)F
InChIInChI=1S/C18H17ClF2N4O3S/c1-28-17-12(7-15(20)21)16(9-2-3-9)23-18(24-17)25-8-14(29(22,26)27)11-5-4-10(19)6-13(11)25/h4-6,8-9,15H,2-3,7H2,1H3,(H2,22,26,27)
InChIKeyBJKQUQGYEIUGQB-UHFFFAOYSA-N
XLogP3.41
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471323
1-[5-bromo-4-(cyclopropylmethyl)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471319
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
6-chloro-7-cyclopropyl-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471099
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-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazol-1-ylindole-3-sulfonamide
CID 177249830
6-chloro-1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(1,2-oxazol-4-yl)indole-3-sulfonamide
CID 177249907
1-[5-bromo-4-(difluoromethyl)-6-methoxypyrimidin-2-yl]-6-chloroindole
CID 175788822
1-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(4-methylpyridazin-3-yl)indole-3-sulfonamide
CID 177249914
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide
CID 164908427

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide?
The IUPAC name of 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide (CID 175471120) is 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide?
The canonical SMILES for 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide is COc1nc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc(C2CC2)c1CC(F)F.
What is the InChIKey of 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide?
The InChIKey is BJKQUQGYEIUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O3S/c1-28-17-12(7-15(20)21)16(9-2-3-9)23-18(24-17)25-8-14(29(22,26)27)11-5-4-10(19)6-13(11)25/h4-6,8-9,15H,2-3,7H2,1H3,(H2,22,26,27).
What are the key properties of 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide?
6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide has a molecular weight of 442.88 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide is sourced from PubChem (CID 175471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).