1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol

C18H20ClNO3S — CID 25192460

IUPAC1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(O)(c2ccccc2)CC1
InChIInChI=1S/C18H20ClNO3S/c19-16-7-9-17(10-8-16)24(22,23)20-13-4-11-18(21,12-14-20)15-5-2-1-3-6-15/h1-3,5-10,21H,4,11-14H2
InChIKeyRVUCFBVJACHZFJ-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.40
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol

1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol (PubChem CID 25192460) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol
PubChem CID25192460
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC(O)(c2ccccc2)CC1
InChIInChI=1S/C18H20ClNO3S/c19-16-7-9-17(10-8-16)24(22,23)20-13-4-11-18(21,12-14-20)15-5-2-1-3-6-15/h1-3,5-10,21H,4,11-14H2
InChIKeyRVUCFBVJACHZFJ-UHFFFAOYSA-N
XLogP3.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol (CID 25192460) is 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol is O=S(=O)(c1ccc(Cl)cc1)N1CCCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol?
The InChIKey is RVUCFBVJACHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-16-7-9-17(10-8-16)24(22,23)20-13-4-11-18(21,12-14-20)15-5-2-1-3-6-15/h1-3,5-10,21H,4,11-14H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol?
1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol has a molecular weight of 365.88 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-phenylazepan-4-ol is sourced from PubChem (CID 25192460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).