N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide

C26H26N2O4S — CID 17311741

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)C1
InChIInChI=1S/C26H26N2O4S/c1-18-7-6-16-28(17-18)33(30,31)20-14-12-19(13-15-20)27-26(29)25-21-8-2-4-10-23(21)32-24-11-5-3-9-22(24)25/h2-5,8-15,18,25H,6-7,16-17H2,1H3,(H,27,29)
InChIKeyKXTIHBSXYGTQJJ-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.98
Rot. Bonds4

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide (PubChem CID 17311741) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide
PubChem CID17311741
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)C1
InChIInChI=1S/C26H26N2O4S/c1-18-7-6-16-28(17-18)33(30,31)20-14-12-19(13-15-20)27-26(29)25-21-8-2-4-10-23(21)32-24-11-5-3-9-22(24)25/h2-5,8-15,18,25H,6-7,16-17H2,1H3,(H,27,29)
InChIKeyKXTIHBSXYGTQJJ-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide
CID 94858116
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16547474
N-[4-(cyclohexylsulfamoyl)phenyl]-9H-xanthene-9-carboxamide
CID 2228289
1-(furan-2-carbonyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-4-carboxamide
CID 40964085
(2R)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-phenylbutanamide
CID 25490480
3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2139142
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide (CID 17311741) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide?
The InChIKey is KXTIHBSXYGTQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-18-7-6-16-28(17-18)33(30,31)20-14-12-19(13-15-20)27-26(29)25-21-8-2-4-10-23(21)32-24-11-5-3-9-22(24)25/h2-5,8-15,18,25H,6-7,16-17H2,1H3,(H,27,29).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 17311741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).