N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide

C17H22N4O3S — CID 171138546

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(C)c3c(c2)C(C)(C)C(=O)N3)n(C)n1
InChIInChI=1S/C17H22N4O3S/c1-10-6-13(8-14-15(10)19-16(22)17(14,3)4)25(23,24)18-9-12-7-11(2)20-21(12)5/h6-8,18H,9H2,1-5H3,(H,19,22)
InChIKeyHCRUFUGIXQRMGK-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.75
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 171138546) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID171138546
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cc(C)c3c(c2)C(C)(C)C(=O)N3)n(C)n1
InChIInChI=1S/C17H22N4O3S/c1-10-6-13(8-14-15(10)19-16(22)17(14,3)4)25(23,24)18-9-12-7-11(2)20-21(12)5/h6-8,18H,9H2,1-5H3,(H,19,22)
InChIKeyHCRUFUGIXQRMGK-UHFFFAOYSA-N
XLogP1.75
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide (CID 171138546) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide is Cc1cc(CNS(=O)(=O)c2cc(C)c3c(c2)C(C)(C)C(=O)N3)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is HCRUFUGIXQRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-10-6-13(8-14-15(10)19-16(22)17(14,3)4)25(23,24)18-9-12-7-11(2)20-21(12)5/h6-8,18H,9H2,1-5H3,(H,19,22).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3,7-trimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 171138546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).