N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C14H8ClN3O4S2 — CID 108782569

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc2o1
InChIInChI=1S/C14H8ClN3O4S2/c15-7-1-3-10-12(5-7)23-13(16-10)18-24(20,21)8-2-4-9-11(6-8)22-14(19)17-9/h1-6H,(H,16,18)(H,17,19)
InChIKeyQDGMMOFOFHHOFP-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.18
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108782569) has the molecular formula C14H8ClN3O4S2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108782569
Molecular FormulaC14H8ClN3O4S2
Molecular Weight381.82 g/mol
Exact Mass380.96
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc2o1
InChIInChI=1S/C14H8ClN3O4S2/c15-7-1-3-10-12(5-7)23-13(16-10)18-24(20,21)8-2-4-9-11(6-8)22-14(19)17-9/h1-6H,(H,16,18)(H,17,19)
InChIKeyQDGMMOFOFHHOFP-UHFFFAOYSA-N
XLogP3.18
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456406
6-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108783263
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 60592871
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
N-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 16934052
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783079
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 108782569) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc2o1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is QDGMMOFOFHHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O4S2/c15-7-1-3-10-12(5-7)23-13(16-10)18-24(20,21)8-2-4-9-11(6-8)22-14(19)17-9/h1-6H,(H,16,18)(H,17,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 381.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108782569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).