N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide

C32H26N2O3S — CID 171341744

IUPACN-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2c(-c3ccccc3)[nH]c3cc(C)ccc23)c2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C32H26N2O3S/c1-21-12-15-24(16-13-21)38(36,37)34(29-18-19-30(35)26-11-7-6-10-25(26)29)32-27-17-14-22(2)20-28(27)33-31(32)23-8-4-3-5-9-23/h3-20,33,35H,1-2H3
InChIKeyTZDZVRQOLGKKDX-UHFFFAOYSA-N
MW518.64 g/mol
LogP7.84
Rot. Bonds5

About N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide

N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide (PubChem CID 171341744) has the molecular formula C32H26N2O3S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide
PubChem CID171341744
Molecular FormulaC32H26N2O3S
Molecular Weight518.64 g/mol
Exact Mass518.17
IUPAC NameN-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2c(-c3ccccc3)[nH]c3cc(C)ccc23)c2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C32H26N2O3S/c1-21-12-15-24(16-13-21)38(36,37)34(29-18-19-30(35)26-11-7-6-10-25(26)29)32-27-17-14-22(2)20-28(27)33-31(32)23-8-4-3-5-9-23/h3-20,33,35H,1-2H3
InChIKeyTZDZVRQOLGKKDX-UHFFFAOYSA-N
XLogP7.84
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide
CID 171341743
N-(4-hydroxynaphthalen-1-yl)-N-(2-phenyl-1H-indol-3-yl)naphthalene-1-sulfonamide
CID 171341751
N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide
CID 171341818
N-(4-hydroxynaphthalen-1-yl)-N-(2-phenyl-1H-indol-3-yl)acetamide
CID 171341762
ethyl 3-[(4-aminonaphthalen-1-yl)-(4-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 171341776
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
3-methyl-2-phenyl-1H-indol-6-ol
CID 22141383
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide (CID 171341744) is N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2c(-c3ccccc3)[nH]c3cc(C)ccc23)c2ccc(O)c3ccccc23)cc1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is TZDZVRQOLGKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3S/c1-21-12-15-24(16-13-21)38(36,37)34(29-18-19-30(35)26-11-7-6-10-25(26)29)32-27-17-14-22(2)20-28(27)33-31(32)23-8-4-3-5-9-23/h3-20,33,35H,1-2H3.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide?
N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 518.64 g/mol, XLogP of 7.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 171341744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).