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

C37H29N3O2S — CID 171341743

IUPACN-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C37H29N3O2S/c1-26-20-22-29(23-21-26)43(41,42)40(37-32-18-10-11-19-33(32)39-36(37)27-12-4-2-5-13-27)35-25-24-34(30-16-8-9-17-31(30)35)38-28-14-6-3-7-15-28/h2-25,38-39H,1H3
InChIKeyWTFUPSOBRXISGI-UHFFFAOYSA-N
MW579.73 g/mol
LogP9.57
Rot. Bonds7

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

N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide (PubChem CID 171341743) has the molecular formula C37H29N3O2S and a molecular weight of 579.73 g/mol. Its IUPAC name is N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide
PubChem CID171341743
Molecular FormulaC37H29N3O2S
Molecular Weight579.73 g/mol
Exact Mass579.20
IUPAC NameN-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C37H29N3O2S/c1-26-20-22-29(23-21-26)43(41,42)40(37-32-18-10-11-19-33(32)39-36(37)27-12-4-2-5-13-27)35-25-24-34(30-16-8-9-17-31(30)35)38-28-14-6-3-7-15-28/h2-25,38-39H,1H3
InChIKeyWTFUPSOBRXISGI-UHFFFAOYSA-N
XLogP9.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.73
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxynaphthalen-1-yl)-4-methyl-N-(6-methyl-2-phenyl-1H-indol-3-yl)benzenesulfonamide
CID 171341744
ethyl 3-[(4-aminonaphthalen-1-yl)-(4-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 171341776
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-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-1H-quinolin-4-one
CID 132530833
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352
N-(4-hydroxynaphthalen-1-yl)-N-(2-phenyl-1H-indol-3-yl)acetamide
CID 171341762
4-(9H-carbazol-3-yl)-N-phenyl-2-[4-(3-phenylphenyl)phenyl]aniline
CID 121262045
1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
CID 146472249

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide (CID 171341743) is N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccc(Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is WTFUPSOBRXISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3O2S/c1-26-20-22-29(23-21-26)43(41,42)40(37-32-18-10-11-19-33(32)39-36(37)27-12-4-2-5-13-27)35-25-24-34(30-16-8-9-17-31(30)35)38-28-14-6-3-7-15-28/h2-25,38-39H,1H3.
What are the key properties of N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide?
N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 579.73 g/mol, XLogP of 9.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 171341743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).