1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C19H21NO5S — CID 18679369

IUPAC1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C19H21NO5S/c21-18(22)19(13-5-2-6-14-19)20-26(23,24)17-11-9-16(10-12-17)25-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,21,22)
InChIKeySORRSTADLJXBOR-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.54
Rot. Bonds6

About 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 18679369) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID18679369
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C19H21NO5S/c21-18(22)19(13-5-2-6-14-19)20-26(23,24)17-11-9-16(10-12-17)25-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,21,22)
InChIKeySORRSTADLJXBOR-UHFFFAOYSA-N
XLogP3.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 18679369) is 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SORRSTADLJXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c21-18(22)19(13-5-2-6-14-19)20-26(23,24)17-11-9-16(10-12-17)25-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,21,22).
What are the key properties of 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18679369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).