4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide

C22H22ClN3O2S — CID 130225238

IUPAC4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1cnccc1Cl
InChIInChI=1S/C22H22ClN3O2S/c23-21-10-12-24-14-22(21)29(27,28)25-20-11-13-26(16-20)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-10,12,14,20,25H,11,13,15-16H2/t20-/m1/s1
InChIKeySDGYVBWYYFWYNN-HXUWFJFHSA-N
MW427.96 g/mol
LogP3.95
Rot. Bonds6

About 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide

4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide (PubChem CID 130225238) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
PubChem CID130225238
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1cnccc1Cl
InChIInChI=1S/C22H22ClN3O2S/c23-21-10-12-24-14-22(21)29(27,28)25-20-11-13-26(16-20)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-10,12,14,20,25H,11,13,15-16H2/t20-/m1/s1
InChIKeySDGYVBWYYFWYNN-HXUWFJFHSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 130225287
5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide
CID 130225240
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 118521515
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581910
N-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712
N-[(3R)-1-[[4-(4-chlorophenyl)phenyl]methyl]pyrrolidin-3-yl]-3-cyanobenzenesulfonamide
CID 130224703
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide (CID 130225238) is 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide is O=S(=O)(N[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
The InChIKey is SDGYVBWYYFWYNN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-21-10-12-24-14-22(21)29(27,28)25-20-11-13-26(16-20)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-10,12,14,20,25H,11,13,15-16H2/t20-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide?
4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide has a molecular weight of 427.96 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 130225238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).