1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride

C23H30ClN3O3S — CID 15951137

IUPAC1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(NS(=O)(=O)Cc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C23H29N3O3S.ClH/c27-23(26-16-6-9-22(26)17-25-14-4-5-15-25)20-10-12-21(13-11-20)24-30(28,29)18-19-7-2-1-3-8-19;/h1-3,7-8,10-13,22,24H,4-6,9,14-18H2;1H/t22-;/m0./s1
InChIKeyVMQAGXSEFGYFSP-FTBISJDPSA-N
MW464.03 g/mol
LogP3.75
Rot. Bonds7

About 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride

1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 15951137) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID15951137
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride
SMILESCl.O=C(c1ccc(NS(=O)(=O)Cc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C23H29N3O3S.ClH/c27-23(26-16-6-9-22(26)17-25-14-4-5-15-25)20-10-12-21(13-11-20)24-30(28,29)18-19-7-2-1-3-8-19;/h1-3,7-8,10-13,22,24H,4-6,9,14-18H2;1H/t22-;/m0./s1
InChIKeyVMQAGXSEFGYFSP-FTBISJDPSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride with MolForge

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Related Compounds

[4-(2-phenoxyethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11960131
[4-[2-(benzylamino)ethyl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15951067
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
[4-(butylamino)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15951002
2-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenoxy]ethyl benzoate
CID 150165105
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
CID 67373908
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride (CID 15951137) is 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride is Cl.O=C(c1ccc(NS(=O)(=O)Cc2ccccc2)cc1)N1CCC[C@H]1CN1CCCC1.
What is the InChIKey of 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is VMQAGXSEFGYFSP-FTBISJDPSA-N. The full InChI is InChI=1S/C23H29N3O3S.ClH/c27-23(26-16-6-9-22(26)17-25-14-4-5-15-25)20-10-12-21(13-11-20)24-30(28,29)18-19-7-2-1-3-8-19;/h1-3,7-8,10-13,22,24H,4-6,9,14-18H2;1H/t22-;/m0./s1.
What are the key properties of 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride?
1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 464.03 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 15951137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).