N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide

C28H26N2O4S — CID 3727169

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4S/c1-34-28-18-10-9-17-27(28)30(35(32,33)22-11-3-2-4-12-22)20-21(31)19-29-25-15-7-5-13-23(25)24-14-6-8-16-26(24)29/h2-18,21,31H,19-20H2,1H3
InChIKeyZYZVUPJFGQXVDP-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.06
Rot. Bonds8

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 3727169) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID3727169
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H26N2O4S/c1-34-28-18-10-9-17-27(28)30(35(32,33)22-11-3-2-4-12-22)20-21(31)19-29-25-15-7-5-13-23(25)24-14-6-8-16-26(24)29/h2-18,21,31H,19-20H2,1H3
InChIKeyZYZVUPJFGQXVDP-UHFFFAOYSA-N
XLogP5.06
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.06
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-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide (CID 3727169) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(CC(O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is ZYZVUPJFGQXVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-34-28-18-10-9-17-27(28)30(35(32,33)22-11-3-2-4-12-22)20-21(31)19-29-25-15-7-5-13-23(25)24-14-6-8-16-26(24)29/h2-18,21,31H,19-20H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 486.59 g/mol, XLogP of 5.06, 8 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-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3727169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).