N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

C11H6Cl2N2O2S3 — CID 16934134

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccs1
InChIInChI=1S/C11H6Cl2N2O2S3/c12-6-3-4-7-10(9(6)13)14-11(19-7)15-20(16,17)8-2-1-5-18-8/h1-5H,(H,14,15)
InChIKeyMCXNRNFXBYURDZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.47
Rot. Bonds3

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 16934134) has the molecular formula C11H6Cl2N2O2S3 and a molecular weight of 365.29 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
PubChem CID16934134
Molecular FormulaC11H6Cl2N2O2S3
Molecular Weight365.29 g/mol
Exact Mass363.90
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccs1
InChIInChI=1S/C11H6Cl2N2O2S3/c12-6-3-4-7-10(9(6)13)14-11(19-7)15-20(16,17)8-2-1-5-18-8/h1-5H,(H,14,15)
InChIKeyMCXNRNFXBYURDZ-UHFFFAOYSA-N
XLogP4.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934141
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830556
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934138
4,5-dibromo-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 25042715
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 108783410
N-(5-bromo-2-chlorophenyl)thiophene-2-sulfonamide
CID 55132063
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041455
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 57379871
N-(2-chloro-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61132271
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide (CID 16934134) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccs1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is MCXNRNFXBYURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2S3/c12-6-3-4-7-10(9(6)13)14-11(19-7)15-20(16,17)8-2-1-5-18-8/h1-5H,(H,14,15).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 365.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 16934134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).