N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C15H18N4O3S — CID 86264363

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)c2cn(C)c3ccccc23)cn1
InChIInChI=1S/C15H18N4O3S/c1-18-10-13(12-5-3-4-6-14(12)18)15(20)8-17-23(21,22)11-7-16-19(2)9-11/h3-7,9-10,15,17,20H,8H2,1-2H3
InChIKeyFHGKNTSMXILZNA-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.92
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 86264363) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID86264363
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)c2cn(C)c3ccccc23)cn1
InChIInChI=1S/C15H18N4O3S/c1-18-10-13(12-5-3-4-6-14(12)18)15(20)8-17-23(21,22)11-7-16-19(2)9-11/h3-7,9-10,15,17,20H,8H2,1-2H3
InChIKeyFHGKNTSMXILZNA-UHFFFAOYSA-N
XLogP0.92
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 86264363) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)c2cn(C)c3ccccc23)cn1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is FHGKNTSMXILZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18-10-13(12-5-3-4-6-14(12)18)15(20)8-17-23(21,22)11-7-16-19(2)9-11/h3-7,9-10,15,17,20H,8H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 86264363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).