N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide

C14H19ClN2O2S — CID 113083694

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H19ClN2O2S/c1-2-3-8-20(18,19)17-7-6-11-10-16-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3
InChIKeyHTPNEEBEFGNDHD-UHFFFAOYSA-N
MW314.84 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide (PubChem CID 113083694) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
PubChem CID113083694
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H19ClN2O2S/c1-2-3-8-20(18,19)17-7-6-11-10-16-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3
InChIKeyHTPNEEBEFGNDHD-UHFFFAOYSA-N
XLogP3.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856
N-[2-(5-chloro-2-fluorophenyl)ethyl]propane-1-sulfonamide
CID 110790550
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
N-[2-(6-chloro-1H-indol-3-yl)-2-methylpropyl]butane-1-sulfonamide
CID 113084580
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide (CID 113083694) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide?
The InChIKey is HTPNEEBEFGNDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-2-3-8-20(18,19)17-7-6-11-10-16-14-5-4-12(15)9-13(11)14/h4-5,9-10,16-17H,2-3,6-8H2,1H3.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide has a molecular weight of 314.84 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 113083694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).