N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide

C26H26N2O4S — CID 2228289

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H26N2O4S/c29-26(25-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)25)27-18-14-16-20(17-15-18)33(30,31)28-19-8-2-1-3-9-19/h4-7,10-17,19,25,28H,1-3,8-9H2,(H,27,29)
InChIKeyWOHWNPMCJCOJGT-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.17
Rot. Bonds5

About N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide

N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide (PubChem CID 2228289) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide
PubChem CID2228289
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H26N2O4S/c29-26(25-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)25)27-18-14-16-20(17-15-18)33(30,31)28-19-8-2-1-3-9-19/h4-7,10-17,19,25,28H,1-3,8-9H2,(H,27,29)
InChIKeyWOHWNPMCJCOJGT-UHFFFAOYSA-N
XLogP5.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107
cis-(1R,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1015007
trans-(1S,2S)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51570846
cis-(1S,2R)-2-[[4-(cyclohexylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11839068
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide
CID 17311741
N-(4-anilinophenyl)-9H-xanthene-9-carboxamide
CID 4104080
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 2228727
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide (CID 2228289) is N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide?
The InChIKey is WOHWNPMCJCOJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c29-26(25-21-10-4-6-12-23(21)32-24-13-7-5-11-22(24)25)27-18-14-16-20(17-15-18)33(30,31)28-19-8-2-1-3-9-19/h4-7,10-17,19,25,28H,1-3,8-9H2,(H,27,29).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2228289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).