1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane

C11H14ClFN2O2S — CID 43361733

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCNCC1
InChIInChI=1S/C11H14ClFN2O2S/c12-10-8-9(2-3-11(10)13)18(16,17)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKeyAIMFKMNJCWCBIM-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.46
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane

1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane (PubChem CID 43361733) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
PubChem CID43361733
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCCNCC1
InChIInChI=1S/C11H14ClFN2O2S/c12-10-8-9(2-3-11(10)13)18(16,17)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2
InChIKeyAIMFKMNJCWCBIM-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963513
5-(1,4-diazepan-1-ylsulfonyl)-2-fluorobenzonitrile;hydrochloride
CID 119963361
2-chloro-4-(1,4-diazepan-1-ylsulfonyl)benzonitrile
CID 115752147
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-1,4-diazepane
CID 120999337
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2452153
2-fluoro-5-piperazin-1-ylsulfonylbenzonitrile
CID 63287823
4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3872116
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119961493

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane (CID 43361733) is 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCNCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane?
The InChIKey is AIMFKMNJCWCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-10-8-9(2-3-11(10)13)18(16,17)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane?
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane has a molecular weight of 292.76 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane is sourced from PubChem (CID 43361733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).