3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide

C12H13Cl2N3O2S — CID 60958498

IUPAC3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H13Cl2N3O2S/c13-5-2-8-20(18,19)16-11-4-1-3-10(14)12(11)17-7-6-15-9-17/h1,3-4,6-7,9,16H,2,5,8H2
InChIKeyMCBFSXWJGNSOLH-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.90
Rot. Bonds6

About 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide

3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide (PubChem CID 60958498) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide
PubChem CID60958498
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C12H13Cl2N3O2S/c13-5-2-8-20(18,19)16-11-4-1-3-10(14)12(11)17-7-6-15-9-17/h1,3-4,6-7,9,16H,2,5,8H2
InChIKeyMCBFSXWJGNSOLH-UHFFFAOYSA-N
XLogP2.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
3-chloro-N-hexyl-2-imidazol-1-ylaniline
CID 43673598
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
3-chloro-N-heptan-4-yl-2-imidazol-1-ylaniline
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3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide (CID 60958498) is 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide?
The InChIKey is MCBFSXWJGNSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c13-5-2-8-20(18,19)16-11-4-1-3-10(14)12(11)17-7-6-15-9-17/h1,3-4,6-7,9,16H,2,5,8H2.
What are the key properties of 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide?
3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide has a molecular weight of 334.23 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 60958498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).