1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide

C18H11Cl2N3O3S2 — CID 59432877

IUPAC1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C18H11Cl2N3O3S2/c19-14-3-1-12(10-15(14)20)17(24)23-7-5-11-9-13(2-4-16(11)23)28(25,26)22-18-21-6-8-27-18/h1-10H,(H,21,22)
InChIKeyUGPSQASTRSWGLX-UHFFFAOYSA-N
MW452.34 g/mol
LogP4.89
Rot. Bonds4

About 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide

1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide (PubChem CID 59432877) has the molecular formula C18H11Cl2N3O3S2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
PubChem CID59432877
Molecular FormulaC18H11Cl2N3O3S2
Molecular Weight452.34 g/mol
Exact Mass450.96
IUPAC Name1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C18H11Cl2N3O3S2/c19-14-3-1-12(10-15(14)20)17(24)23-7-5-11-9-13(2-4-16(11)23)28(25,26)22-18-21-6-8-27-18/h1-10H,(H,21,22)
InChIKeyUGPSQASTRSWGLX-UHFFFAOYSA-N
XLogP4.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)benzoyl]indole-5-sulfonamide
CID 59432921
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
CID 15951116
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
N'-[(3,4-dichlorophenyl)methylamino]-4-(1,3-thiazol-2-ylsulfamoyl)benzenecarboximidamide
CID 86611701
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487866
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031911
3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
CID 159909017
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide (CID 59432877) is 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide is O=C(c1ccc(Cl)c(Cl)c1)n1ccc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
The InChIKey is UGPSQASTRSWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O3S2/c19-14-3-1-12(10-15(14)20)17(24)23-7-5-11-9-13(2-4-16(11)23)28(25,26)22-18-21-6-8-27-18/h1-10H,(H,21,22).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide?
1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide has a molecular weight of 452.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-(1,3-thiazol-2-yl)indole-5-sulfonamide is sourced from PubChem (CID 59432877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).