N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide

C22H22N2O3S — CID 2879611

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-28(26,27)24(17-9-3-2-4-10-17)16-18(25)15-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,18,25H,15-16H2,1H3
InChIKeyMUGTWDVBZFJDTG-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.62
Rot. Bonds6

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide (PubChem CID 2879611) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide
PubChem CID2879611
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1
InChIInChI=1S/C22H22N2O3S/c1-28(26,27)24(17-9-3-2-4-10-17)16-18(25)15-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,18,25H,15-16H2,1H3
InChIKeyMUGTWDVBZFJDTG-UHFFFAOYSA-N
XLogP3.62
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide (CID 2879611) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide?
The InChIKey is MUGTWDVBZFJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-28(26,27)24(17-9-3-2-4-10-17)16-18(25)15-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,18,25H,15-16H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide is sourced from PubChem (CID 2879611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).