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

C22H23ClN2O2S — CID 8701744

IUPAC4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccc2ccccc12)N1CCCC1)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/t22-/m0/s1
InChIKeySKPZHSIRVXUDIP-QFIPXVFZSA-N
MW414.96 g/mol
LogP4.61
Rot. Bonds6

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

4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 8701744) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID8701744
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1cccc2ccccc12)N1CCCC1)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/t22-/m0/s1
InChIKeySKPZHSIRVXUDIP-QFIPXVFZSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701691
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ium-1-ylethyl]benzenesulfonamide
CID 8701743
2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701696
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30836060
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
4-chloro-N-[(2R)-2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 92669850
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
1-(3-chlorophenyl)-3-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]urea
CID 8701528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 8701744) is 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1cccc2ccccc12)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is SKPZHSIRVXUDIP-QFIPXVFZSA-N. 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/t22-/m0/s1.
What are the key properties of 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 414.96 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 8701744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).