N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide

C28H26N2O4S — CID 2908002

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O4S/c1-34-23-17-15-21(16-18-23)30(35(32,33)24-9-3-2-4-10-24)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,22,31H,19-20H2,1H3
InChIKeyRVKMFYITESTEIC-UHFFFAOYSA-N
MW486.59 g/mol
LogP5.06
Rot. Bonds8

About N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2908002) 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-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2908002
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H26N2O4S/c1-34-23-17-15-21(16-18-23)30(35(32,33)24-9-3-2-4-10-24)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,22,31H,19-20H2,1H3
InChIKeyRVKMFYITESTEIC-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-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 2908002) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is RVKMFYITESTEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-34-23-17-15-21(16-18-23)30(35(32,33)24-9-3-2-4-10-24)20-22(31)19-29-27-13-7-5-11-25(27)26-12-6-8-14-28(26)29/h2-18,22,31H,19-20H2,1H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)benzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-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-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2908002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).