N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide

C17H25N3O3S — CID 9465902

IUPACN-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCC/C(C)=N\NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-3-4-7-14(2)18-19-17(21)15-8-10-16(11-9-15)24(22,23)20-12-5-6-13-20/h8-11H,3-7,12-13H2,1-2H3,(H,19,21)/b18-14-
InChIKeyHPQPVAVXOLONJF-JXAWBTAJSA-N
MW351.47 g/mol
LogP2.77
Rot. Bonds7

About N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9465902) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9465902
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCC/C(C)=N\NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-3-4-7-14(2)18-19-17(21)15-8-10-16(11-9-15)24(22,23)20-12-5-6-13-20/h8-11H,3-7,12-13H2,1-2H3,(H,19,21)/b18-14-
InChIKeyHPQPVAVXOLONJF-JXAWBTAJSA-N
XLogP2.77
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
CID 9359416
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-[2-[butyl(methyl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112995368
N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465917
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
ethyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinylidene]piperidine-1-carboxylate
CID 9466019
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9465902) is N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide is CCCC/C(C)=N\NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is HPQPVAVXOLONJF-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-3-4-7-14(2)18-19-17(21)15-8-10-16(11-9-15)24(22,23)20-12-5-6-13-20/h8-11H,3-7,12-13H2,1-2H3,(H,19,21)/b18-14-.
What are the key properties of N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 351.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hexan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9465902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).