1-(2-bromophenyl)sulfonyl-1,4-diazepane

C11H15BrN2O2S — CID 28973443

IUPAC1-(2-bromophenyl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(c1ccccc1Br)N1CCCNCC1
InChIInChI=1S/C11H15BrN2O2S/c12-10-4-1-2-5-11(10)17(15,16)14-8-3-6-13-7-9-14/h1-2,4-5,13H,3,6-9H2
InChIKeyVSMAYUINIICTJN-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-bromophenyl)sulfonyl-1,4-diazepane

1-(2-bromophenyl)sulfonyl-1,4-diazepane (PubChem CID 28973443) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-1,4-diazepane
PubChem CID28973443
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name1-(2-bromophenyl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(c1ccccc1Br)N1CCCNCC1
InChIInChI=1S/C11H15BrN2O2S/c12-10-4-1-2-5-11(10)17(15,16)14-8-3-6-13-7-9-14/h1-2,4-5,13H,3,6-9H2
InChIKeyVSMAYUINIICTJN-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963200
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975760
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
1-anthracen-9-ylsulfonyl-1,4-diazepane;hydrochloride
CID 19826009
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
1-pyridin-2-ylsulfonyl-1,4-diazepane
CID 86784566
5-(1,4-diazepan-1-ylsulfonyl)-N,N-dimethylnaphthalen-1-amine
CID 14098042
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-1,4-diazepane?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-1,4-diazepane (CID 28973443) is 1-(2-bromophenyl)sulfonyl-1,4-diazepane.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-1,4-diazepane?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-1,4-diazepane is O=S(=O)(c1ccccc1Br)N1CCCNCC1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-1,4-diazepane?
The InChIKey is VSMAYUINIICTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-10-4-1-2-5-11(10)17(15,16)14-8-3-6-13-7-9-14/h1-2,4-5,13H,3,6-9H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-1,4-diazepane?
1-(2-bromophenyl)sulfonyl-1,4-diazepane has a molecular weight of 319.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-1,4-diazepane is sourced from PubChem (CID 28973443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).