1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide

C16H20N4O3S — CID 71911341

IUPAC1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H20N4O3S/c1-2-20-10-14(9-18-20)24(22,23)19-13(11-21)7-12-8-17-16-6-4-3-5-15(12)16/h3-6,8-10,13,17,19,21H,2,7,11H2,1H3
InChIKeyXCGOALTZAQOFPP-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.27
Rot. Bonds7

About 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide

1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide (PubChem CID 71911341) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide
PubChem CID71911341
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H20N4O3S/c1-2-20-10-14(9-18-20)24(22,23)19-13(11-21)7-12-8-17-16-6-4-3-5-15(12)16/h3-6,8-10,13,17,19,21H,2,7,11H2,1H3
InChIKeyXCGOALTZAQOFPP-UHFFFAOYSA-N
XLogP1.27
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide (CID 71911341) is 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(CO)Cc2c[nH]c3ccccc23)cn1.
What is the InChIKey of 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is XCGOALTZAQOFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-20-10-14(9-18-20)24(22,23)19-13(11-21)7-12-8-17-16-6-4-3-5-15(12)16/h3-6,8-10,13,17,19,21H,2,7,11H2,1H3.
What are the key properties of 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide?
1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71911341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).