4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide

C22H24ClN2O2S+ — CID 8701743

IUPAC4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2S/c23-18-10-12-19(13-11-18)28(26,27)24-16-22(25-14-3-4-15-25)21-9-5-7-17-6-1-2-8-20(17)21/h1-2,5-13,22,24H,3-4,14-16H2/p+1/t22-/m0/s1
InChIKeySKPZHSIRVXUDIP-QFIPXVFZSA-O
MW415.97 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide

4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide (PubChem CID 8701743) has the molecular formula C22H24ClN2O2S+ and a molecular weight of 415.97 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
PubChem CID8701743
Molecular FormulaC22H24ClN2O2S+
Molecular Weight415.97 g/mol
Exact Mass415.12
IUPAC Name4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2S/c23-18-10-12-19(13-11-18)28(26,27)24-16-22(25-14-3-4-15-25)21-9-5-7-17-6-1-2-8-20(17)21/h1-2,5-13,22,24H,3-4,14-16H2/p+1/t22-/m0/s1
InChIKeySKPZHSIRVXUDIP-QFIPXVFZSA-O
XLogP3.19
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
CID 8701746
4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701744
2,5-dimethyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
CID 8701703
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]naphthalene-1-sulfonamide
CID 7498156
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]naphthalene-2-sulfonamide
CID 7498083
4-chloro-N-[2-cyclobutyl-2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 69466447
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
3-methyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 8701638
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
4-chloro-N-[(2S)-5-hydroxy-2-methyl-5,5-dinaphthalen-1-ylpentyl]benzenesulfonamide
CID 69466111
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide (CID 8701743) is 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1cccc2ccccc12)[NH+]1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide?
The InChIKey is SKPZHSIRVXUDIP-QFIPXVFZSA-O. The full InChI is InChI=1S/C22H23ClN2O2S/c23-18-10-12-19(13-11-18)28(26,27)24-16-22(25-14-3-4-15-25)21-9-5-7-17-6-1-2-8-20(17)21/h1-2,5-13,22,24H,3-4,14-16H2/p+1/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide?
4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide has a molecular weight of 415.97 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 8701743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).