(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide

C17H25N3O2S — CID 5394786

IUPAC(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-15-6-8-16(9-7-15)23(21,22)18-17(20-12-4-5-13-20)14-19-10-2-3-11-19/h6-9H,2-5,10-14H2,1H3/b18-17-
InChIKeyBFTBKOAKYFFPBW-ZCXUNETKSA-N
MW335.47 g/mol
LogP2.27
Rot. Bonds4

About (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide

(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide (PubChem CID 5394786) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide
PubChem CID5394786
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O2S/c1-15-6-8-16(9-7-15)23(21,22)18-17(20-12-4-5-13-20)14-19-10-2-3-11-19/h6-9H,2-5,10-14H2,1H3/b18-17-
InChIKeyBFTBKOAKYFFPBW-ZCXUNETKSA-N
XLogP2.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 92849277
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]benzenesulfonamide
CID 98138047
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 98138042
N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide
CID 10881850
(NZ)-N-[1-[3-(benzenesulfonyl)-2-propan-2-ylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]-4-methylbenzenesulfonamide
CID 6043418
dimethyl (1Z,4Z)-1-N,4-N-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate
CID 14981602
N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 4656786
(NZ)-N-[1-[3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethylidene]-4-methylbenzenesulfonamide
CID 6177409
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
methyl 4-[(E)-1-piperidin-1-ylethylideneamino]sulfonylbenzoate
CID 6449665

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide (CID 5394786) is (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(/CN2CCCC2)N2CCCC2)cc1.
What is the InChIKey of (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide?
The InChIKey is BFTBKOAKYFFPBW-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-15-6-8-16(9-7-15)23(21,22)18-17(20-12-4-5-13-20)14-19-10-2-3-11-19/h6-9H,2-5,10-14H2,1H3/b18-17-.
What are the key properties of (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 5394786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).