2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

C12H14ClN3O2S — CID 3794536

IUPAC2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C12H14ClN3O2S/c13-11-4-1-2-5-12(11)19(17,18)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10,15H,3,6,8H2
InChIKeyUEGLCVLJEULHLF-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.91
Rot. Bonds6

About 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide (PubChem CID 3794536) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
PubChem CID3794536
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C12H14ClN3O2S/c13-11-4-1-2-5-12(11)19(17,18)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10,15H,3,6,8H2
InChIKeyUEGLCVLJEULHLF-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
CID 39622822
5-(2,3-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430299
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 61060719
2-chloro-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177472
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide (CID 3794536) is 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCn1ccnc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is UEGLCVLJEULHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c13-11-4-1-2-5-12(11)19(17,18)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10,15H,3,6,8H2.
What are the key properties of 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3794536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).