1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride

C11H15Cl3N2O2S — CID 119963200

IUPAC1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Cl)c1Cl)N1CCCNCC1
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c12-9-3-1-4-10(11(9)13)18(16,17)15-7-2-5-14-6-8-15;/h1,3-4,14H,2,5-8H2;1H
InChIKeyVKZMXQKLEBJBFV-UHFFFAOYSA-N
MW345.68 g/mol
LogP2.40
Rot. Bonds2

About 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride

1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride (PubChem CID 119963200) has the molecular formula C11H15Cl3N2O2S and a molecular weight of 345.68 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
PubChem CID119963200
Molecular FormulaC11H15Cl3N2O2S
Molecular Weight345.68 g/mol
Exact Mass343.99
IUPAC Name1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Cl)c1Cl)N1CCCNCC1
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c12-9-3-1-4-10(11(9)13)18(16,17)15-7-2-5-14-6-8-15;/h1,3-4,14H,2,5-8H2;1H
InChIKeyVKZMXQKLEBJBFV-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfonyl-1,4-diazepane
CID 28973443
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237
7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 56747043
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 21240790
5-(1,4-diazepan-1-ylsulfonyl)-2,4-dimethylisoquinolin-1-one;hydrochloride
CID 24757491
1-(2-chloro-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963349
2-benzyl-5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-one;hydrochloride
CID 24757584
5-(1,4-diazepan-1-ylsulfonyl)-4-fluoro-2H-isoquinolin-1-one
CID 70195371
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-4-ol
CID 101349747

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride (CID 119963200) is 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride is Cl.O=S(=O)(c1cccc(Cl)c1Cl)N1CCCNCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
The InChIKey is VKZMXQKLEBJBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S.ClH/c12-9-3-1-4-10(11(9)13)18(16,17)15-7-2-5-14-6-8-15;/h1,3-4,14H,2,5-8H2;1H.
What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride?
1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride has a molecular weight of 345.68 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride is sourced from PubChem (CID 119963200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).