2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide

C11H6Cl2N4O2S2 — CID 43456406

IUPAC2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cnc(Cl)nc1
InChIInChI=1S/C11H6Cl2N4O2S2/c12-6-1-2-8-9(3-6)20-11(16-8)17-21(18,19)7-4-14-10(13)15-5-7/h1-5H,(H,16,17)
InChIKeyNLFNDWMDWIGHNT-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide

2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide (PubChem CID 43456406) has the molecular formula C11H6Cl2N4O2S2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
PubChem CID43456406
Molecular FormulaC11H6Cl2N4O2S2
Molecular Weight361.24 g/mol
Exact Mass359.93
IUPAC Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cnc(Cl)nc1
InChIInChI=1S/C11H6Cl2N4O2S2/c12-6-1-2-8-9(3-6)20-11(16-8)17-21(18,19)7-4-14-10(13)15-5-7/h1-5H,(H,16,17)
InChIKeyNLFNDWMDWIGHNT-UHFFFAOYSA-N
XLogP3.19
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
N-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 60592871
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
2-[(6-chloro-1,3-benzothiazol-2-yl)sulfamoyl]propanoic acid
CID 61454607
N-(5-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 129127454
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide (CID 43456406) is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide is O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide?
The InChIKey is NLFNDWMDWIGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O2S2/c12-6-1-2-8-9(3-6)20-11(16-8)17-21(18,19)7-4-14-10(13)15-5-7/h1-5H,(H,16,17).
What are the key properties of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide?
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide has a molecular weight of 361.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).