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

C16H15ClN2O2S — CID 2991494

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C16H15ClN2O2S/c17-13-6-7-16-15(10-13)12(11-18-16)8-9-19-22(20,21)14-4-2-1-3-5-14/h1-7,10-11,18-19H,8-9H2
InChIKeyLAGVVPDWDJVQRG-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.34
Rot. Bonds5

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 2991494) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID2991494
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C16H15ClN2O2S/c17-13-6-7-16-15(10-13)12(11-18-16)8-9-19-22(20,21)14-4-2-1-3-5-14/h1-7,10-11,18-19H,8-9H2
InChIKeyLAGVVPDWDJVQRG-UHFFFAOYSA-N
XLogP3.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 113083875
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
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
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 2991494) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is LAGVVPDWDJVQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-13-6-7-16-15(10-13)12(11-18-16)8-9-19-22(20,21)14-4-2-1-3-5-14/h1-7,10-11,18-19H,8-9H2.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 3.34, 5 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]benzenesulfonamide is sourced from PubChem (CID 2991494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).