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

C29H28N2O4S — CID 3822887

IUPACN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H28N2O4S/c1-21-11-17-25(18-12-21)36(33,34)31(22-13-15-24(35-2)16-14-22)20-23(32)19-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,23,32H,19-20H2,1-2H3
InChIKeyCEVIHNFXHPGIJT-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.37
Rot. Bonds8

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

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 3822887) has the molecular formula C29H28N2O4S and a molecular weight of 500.62 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID3822887
Molecular FormulaC29H28N2O4S
Molecular Weight500.62 g/mol
Exact Mass500.18
IUPAC NameN-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H28N2O4S/c1-21-11-17-25(18-12-21)36(33,34)31(22-13-15-24(35-2)16-14-22)20-23(32)19-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,23,32H,19-20H2,1-2H3
InChIKeyCEVIHNFXHPGIJT-UHFFFAOYSA-N
XLogP5.37
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.37
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)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 3822887) is N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is CEVIHNFXHPGIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4S/c1-21-11-17-25(18-12-21)36(33,34)31(22-13-15-24(35-2)16-14-22)20-23(32)19-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,23,32H,19-20H2,1-2H3.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 500.62 g/mol, XLogP of 5.37, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).