N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide

C18H15Cl2N3O2S2 — CID 171675395

IUPACN-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide
SMILESCc1[nH]c2cc(Cl)cc(Cl)c2c1CCNS(=O)(=O)c1ccc2ncsc2c1
InChIInChI=1S/C18H15Cl2N3O2S2/c1-10-13(18-14(20)6-11(19)7-16(18)23-10)4-5-22-27(24,25)12-2-3-15-17(8-12)26-9-21-15/h2-3,6-9,22-23H,4-5H2,1H3
InChIKeyUQHODNSUUVKPSZ-UHFFFAOYSA-N
MW440.38 g/mol
LogP4.91
Rot. Bonds5

About N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide

N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide (PubChem CID 171675395) has the molecular formula C18H15Cl2N3O2S2 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide
PubChem CID171675395
Molecular FormulaC18H15Cl2N3O2S2
Molecular Weight440.38 g/mol
Exact Mass439.00
IUPAC NameN-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide
SMILESCc1[nH]c2cc(Cl)cc(Cl)c2c1CCNS(=O)(=O)c1ccc2ncsc2c1
InChIInChI=1S/C18H15Cl2N3O2S2/c1-10-13(18-14(20)6-11(19)7-16(18)23-10)4-5-22-27(24,25)12-2-3-15-17(8-12)26-9-21-15/h2-3,6-9,22-23H,4-5H2,1H3
InChIKeyUQHODNSUUVKPSZ-UHFFFAOYSA-N
XLogP4.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide with MolForge

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Related Compounds

N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
CID 154705131
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
4-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113086165
4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 1260172
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
4-chloro-3-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2239852
N-[2-(3-chlorophenyl)ethyl]-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682318
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717587
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide (CID 171675395) is N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide is Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCNS(=O)(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide?
The InChIKey is UQHODNSUUVKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S2/c1-10-13(18-14(20)6-11(19)7-16(18)23-10)4-5-22-27(24,25)12-2-3-15-17(8-12)26-9-21-15/h2-3,6-9,22-23H,4-5H2,1H3.
What are the key properties of N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide?
N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide has a molecular weight of 440.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethyl]-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 171675395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).