(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide

C14H19ClN2O2S — CID 13373547

IUPAC(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
SMILESCCCN1CCCC/C1=N\S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-2-10-17-11-4-3-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11H2,1H3/b16-14+
InChIKeyKASDMECPPIQTMN-JQIJEIRASA-N
MW314.84 g/mol
LogP3.32
Rot. Bonds4

About (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide

(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide (PubChem CID 13373547) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
PubChem CID13373547
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
SMILESCCCN1CCCC/C1=N\S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2S/c1-2-10-17-11-4-3-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11H2,1H3/b16-14+
InChIKeyKASDMECPPIQTMN-JQIJEIRASA-N
XLogP3.32
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373548
(NE)-4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
CID 13373538
4-amino-N-(1-butylpyrrolidin-2-ylidene)benzenesulfonamide
CID 3079984
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
methyl 4-[(Z)-(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
CID 6510241
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
2-(2-chlorophenyl)-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
CID 134058131
2-chloro-4,5-difluoro-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 51956833
cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol
CID 54243327
(NZ)-4-chloro-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16841639
(3S,8R)-9-(4-chlorophenyl)sulfonyl-14-propyl-2-oxa-9,14-diazatricyclo[14.4.0.03,8]icosa-1(20),16,18-trien-15-one
CID 133069995
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915

Frequently Asked Questions

What is the IUPAC name of (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide (CID 13373547) is (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide is CCCN1CCCC/C1=N\S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
The InChIKey is KASDMECPPIQTMN-JQIJEIRASA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-2-10-17-11-4-3-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11H2,1H3/b16-14+.
What are the key properties of (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide has a molecular weight of 314.84 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 13373547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).