N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide

C21H26N2O4S — CID 127037221

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1CCOCC1
InChIInChI=1S/C21H26N2O4S/c1-28(25,26)23(16-10-12-27-13-11-16)15-17(24)14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,24H,10-15H2,1H3
InChIKeyMQUWNAYFFZPRHV-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.60
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide (PubChem CID 127037221) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide
PubChem CID127037221
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1CCOCC1
InChIInChI=1S/C21H26N2O4S/c1-28(25,26)23(16-10-12-27-13-11-16)15-17(24)14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,24H,10-15H2,1H3
InChIKeyMQUWNAYFFZPRHV-UHFFFAOYSA-N
XLogP2.60
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide (CID 127037221) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)C1CCOCC1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide?
The InChIKey is MQUWNAYFFZPRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-28(25,26)23(16-10-12-27-13-11-16)15-17(24)14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,24H,10-15H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 127037221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).