N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide

C14H20N4O2S — CID 61252751

IUPACN-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C14H20N4O2S/c19-21(20,18-9-7-15-8-10-18)17-6-5-12-11-16-14-4-2-1-3-13(12)14/h1-4,11,15-17H,5-10H2
InChIKeySRPRDLFKJDLDPK-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.45
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide

N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide (PubChem CID 61252751) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
PubChem CID61252751
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C14H20N4O2S/c19-21(20,18-9-7-15-8-10-18)17-6-5-12-11-16-14-4-2-1-3-13(12)14/h1-4,11,15-17H,5-10H2
InChIKeySRPRDLFKJDLDPK-UHFFFAOYSA-N
XLogP0.45
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 79755749
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
CID 110611345
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 106386056
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
CID 84760927
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
CID 110608436
N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
CID 61237119
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29136158
N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342531

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide (CID 61252751) is N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide is O=S(=O)(NCCc1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide?
The InChIKey is SRPRDLFKJDLDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-21(20,18-9-7-15-8-10-18)17-6-5-12-11-16-14-4-2-1-3-13(12)14/h1-4,11,15-17H,5-10H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide?
N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61252751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).