1-(4-chlorophenyl)sulfonylazepine

C12H10ClNO2S — CID 15005525

IUPAC1-(4-chlorophenyl)sulfonylazepine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C=CC=CC=C1
InChIInChI=1S/C12H10ClNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h1-10H
InChIKeyBFYJDJLSNCRKQZ-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonylazepine

1-(4-chlorophenyl)sulfonylazepine (PubChem CID 15005525) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylazepine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylazepine
PubChem CID15005525
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name1-(4-chlorophenyl)sulfonylazepine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C=CC=CC=C1
InChIInChI=1S/C12H10ClNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h1-10H
InChIKeyBFYJDJLSNCRKQZ-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
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bis(4-chlorobenzenesulfonate);mercury(2+)
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[9-(4-chlorophenyl)sulfonyloxy-3,5,8,10-tetrahydroxy-4,9-diazatricyclo[5.3.0.02,6]deca-1(10),2,5,7-tetraen-4-yl] 4-chlorobenzenesulfonate
CID 91046608

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylazepine?
The IUPAC name of 1-(4-chlorophenyl)sulfonylazepine (CID 15005525) is 1-(4-chlorophenyl)sulfonylazepine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylazepine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylazepine is O=S(=O)(c1ccc(Cl)cc1)N1C=CC=CC=C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylazepine?
The InChIKey is BFYJDJLSNCRKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c13-11-5-7-12(8-6-11)17(15,16)14-9-3-1-2-4-10-14/h1-10H.
What are the key properties of 1-(4-chlorophenyl)sulfonylazepine?
1-(4-chlorophenyl)sulfonylazepine has a molecular weight of 267.74 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylazepine is sourced from PubChem (CID 15005525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).