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

C22H21FN2O3S — CID 2953180

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3
InChIKeyCSDGEIZSUNESQD-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.76
Rot. Bonds6

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

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 2953180) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide
PubChem CID2953180
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3
InChIKeyCSDGEIZSUNESQD-UHFFFAOYSA-N
XLogP3.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.76
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-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide (CID 2953180) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is CSDGEIZSUNESQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-29(27,28)25(17-12-10-16(23)11-13-17)15-18(26)14-24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-13,18,26H,14-15H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-fluorophenyl)methanesulfonamide has a molecular weight of 412.49 g/mol, XLogP of 3.76, 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-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 2953180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).