N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C19H15Cl2N3O2S2 — CID 164863451

IUPACN-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c2)cs1
InChIInChI=1S/C19H15Cl2N3O2S2/c1-10-3-4-12(16-9-27-11(2)23-16)7-17(10)28(25,26)24-15-6-5-13(20)18-14(21)8-22-19(15)18/h3-9,22,24H,1-2H3
InChIKeyQITCXDAXLDQNIO-UHFFFAOYSA-N
MW452.39 g/mol
LogP6.02
Rot. Bonds4

About N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 164863451) has the molecular formula C19H15Cl2N3O2S2 and a molecular weight of 452.39 g/mol. Its IUPAC name is N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID164863451
Molecular FormulaC19H15Cl2N3O2S2
Molecular Weight452.39 g/mol
Exact Mass451.00
IUPAC NameN-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c2)cs1
InChIInChI=1S/C19H15Cl2N3O2S2/c1-10-3-4-12(16-9-27-11(2)23-16)7-17(10)28(25,26)24-15-6-5-13(20)18-14(21)8-22-19(15)18/h3-9,22,24H,1-2H3
InChIKeyQITCXDAXLDQNIO-UHFFFAOYSA-N
XLogP6.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methyl-1H-indol-7-yl)-2-methyl-1,3-thiazole-4-sulfonamide
CID 172572464
2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974264
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036276
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(3,4-dichloro-1H-indol-7-yl)-4-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 164863639
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 164863451) is N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c2)cs1.
What is the InChIKey of N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is QITCXDAXLDQNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2S2/c1-10-3-4-12(16-9-27-11(2)23-16)7-17(10)28(25,26)24-15-6-5-13(20)18-14(21)8-22-19(15)18/h3-9,22,24H,1-2H3.
What are the key properties of N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 452.39 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 164863451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).