1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide

C15H17FN4O2S — CID 56793257

IUPAC1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cn1
InChIInChI=1S/C15H17FN4O2S/c1-2-20-10-13(9-18-20)23(21,22)19-6-5-11-8-17-15-4-3-12(16)7-14(11)15/h3-4,7-10,17,19H,2,5-6H2,1H3
InChIKeyMNQYFROXECKTBH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.04
Rot. Bonds6

About 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide

1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 56793257) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID56793257
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cn1
InChIInChI=1S/C15H17FN4O2S/c1-2-20-10-13(9-18-20)23(21,22)19-6-5-11-8-17-15-4-3-12(16)7-14(11)15/h3-4,7-10,17,19H,2,5-6H2,1H3
InChIKeyMNQYFROXECKTBH-UHFFFAOYSA-N
XLogP2.04
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
CID 5008232
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-nitrobenzenesulfonamide
CID 3603975
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3776949
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[2-(methanesulfonamido)ethyl]guanidine
CID 111972314
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 56793257) is 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cn1.
What is the InChIKey of 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is MNQYFROXECKTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-2-20-10-13(9-18-20)23(21,22)19-6-5-11-8-17-15-4-3-12(16)7-14(11)15/h3-4,7-10,17,19H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 336.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56793257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).