3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide

C19H20ClN3O2S — CID 11338273

IUPAC3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2/t15-/m0/s1
InChIKeyXPVDVXZPPBMZSV-HNNXBMFYSA-N
MW389.91 g/mol
LogP3.92
Rot. Bonds5

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

3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide (PubChem CID 11338273) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
PubChem CID11338273
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2/t15-/m0/s1
InChIKeyXPVDVXZPPBMZSV-HNNXBMFYSA-N
XLogP3.92
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide (CID 11338273) is 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2[nH]cc(C[C@@H]3CCCN3)c2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is XPVDVXZPPBMZSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-14-3-1-5-17(10-14)26(24,25)23-16-6-7-19-18(11-16)13(12-22-19)9-15-4-2-8-21-15/h1,3,5-7,10-12,15,21-23H,2,4,8-9H2/t15-/m0/s1.
What are the key properties of 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide?
3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[(2S)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11338273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).