N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide

C22H18Cl2N2O3S — CID 171341818

IUPACN-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cc(Cl)c(O)cc2Cl)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H18Cl2N2O3S/c1-13-7-9-15(10-8-13)30(28,29)26(20-11-18(24)21(27)12-17(20)23)22-14(2)25-19-6-4-3-5-16(19)22/h3-12,25,27H,1-2H3
InChIKeyYEYZMHHMQQUABU-UHFFFAOYSA-N
MW461.37 g/mol
LogP6.32
Rot. Bonds4

About N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide

N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide (PubChem CID 171341818) has the molecular formula C22H18Cl2N2O3S and a molecular weight of 461.37 g/mol. Its IUPAC name is N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide
PubChem CID171341818
Molecular FormulaC22H18Cl2N2O3S
Molecular Weight461.37 g/mol
Exact Mass460.04
IUPAC NameN-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cc(Cl)c(O)cc2Cl)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H18Cl2N2O3S/c1-13-7-9-15(10-8-13)30(28,29)26(20-11-18(24)21(27)12-17(20)23)22-14(2)25-19-6-4-3-5-16(19)22/h3-12,25,27H,1-2H3
InChIKeyYEYZMHHMQQUABU-UHFFFAOYSA-N
XLogP6.32
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.37
LogP ≤ 56.32
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-anilinonaphthalen-1-yl)-4-methyl-N-(2-phenyl-1H-indol-3-yl)benzenesulfonamide
CID 171341743
9H-carbazole;4-methylbenzenesulfonic acid
CID 173038183
N-(2-tert-butyl-7-methyl-3H-benzo[e]indol-1-yl)-N-(2,5-dichloro-4-hydroxyphenyl)ethanesulfonamide
CID 171341842
N-(2,3-dichloro-4-hydroxynaphthalen-1-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 15445841
3-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-2-methyl-1H-indole
CID 56954897
1-(2-methyl-1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethane-1,2-dione
CID 43063930
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
(2,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339192
N-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)acetamide
CID 1180628
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448292

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide (CID 171341818) is N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cc(Cl)c(O)cc2Cl)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is YEYZMHHMQQUABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3S/c1-13-7-9-15(10-8-13)30(28,29)26(20-11-18(24)21(27)12-17(20)23)22-14(2)25-19-6-4-3-5-16(19)22/h3-12,25,27H,1-2H3.
What are the key properties of N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide?
N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 461.37 g/mol, XLogP of 6.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-hydroxyphenyl)-4-methyl-N-(2-methyl-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 171341818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).