N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide

C16H20N4O2S — CID 46982035

IUPACN-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc3c(c2)cc(C)n3C)c1C
InChIInChI=1S/C16H20N4O2S/c1-5-20-12(3)16(10-17-20)23(21,22)18-14-6-7-15-13(9-14)8-11(2)19(15)4/h6-10,18H,5H2,1-4H3
InChIKeySCJFBOZTXNKISC-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds4

About N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide

N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 46982035) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID46982035
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc3c(c2)cc(C)n3C)c1C
InChIInChI=1S/C16H20N4O2S/c1-5-20-12(3)16(10-17-20)23(21,22)18-14-6-7-15-13(9-14)8-11(2)19(15)4/h6-10,18H,5H2,1-4H3
InChIKeySCJFBOZTXNKISC-UHFFFAOYSA-N
XLogP2.81
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 6471033
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093
2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 22204206
1-ethyl-5-methyl-N-(2-methyl-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774298
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022679
N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22201552

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 46982035) is N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc3c(c2)cc(C)n3C)c1C.
What is the InChIKey of N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is SCJFBOZTXNKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-5-20-12(3)16(10-17-20)23(21,22)18-14-6-7-15-13(9-14)8-11(2)19(15)4/h6-10,18H,5H2,1-4H3.
What are the key properties of N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 46982035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).