N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride

C8H7ClN2O4S2 — CID 125425075

IUPACN-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride
SMILESC[S@@](=O)(=NS(=O)(=O)Cl)c1nc2ccccc2o1
InChIInChI=1S/C8H7ClN2O4S2/c1-16(12,11-17(9,13)14)8-10-6-4-2-3-5-7(6)15-8/h2-5H,1H3/t16-/m0/s1
InChIKeyUCCAVQNXGWIUAY-INIZCTEOSA-N
MW294.74 g/mol
LogP1.77
Rot. Bonds2

About N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride

N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride (PubChem CID 125425075) has the molecular formula C8H7ClN2O4S2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride
PubChem CID125425075
Molecular FormulaC8H7ClN2O4S2
Molecular Weight294.74 g/mol
Exact Mass293.95
IUPAC NameN-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride
SMILESC[S@@](=O)(=NS(=O)(=O)Cl)c1nc2ccccc2o1
InChIInChI=1S/C8H7ClN2O4S2/c1-16(12,11-17(9,13)14)8-10-6-4-2-3-5-7(6)15-8/h2-5H,1H3/t16-/m0/s1
InChIKeyUCCAVQNXGWIUAY-INIZCTEOSA-N
XLogP1.77
TPSA89.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

formamide;2-methylsulfonyl-1,3-benzoxazole
CID 67836610
N,N-dimethyl-1,3-benzoxazole-2-sulfonamide
CID 71369895
1,3-benzoxazole-2-sulfonic acid;silver
CID 160787540
2-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 154146633
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
CID 175303024
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-ethyl-1,3-benzoxazole
CID 23239
4-(1,3-benzoxazol-2-ylsulfonyl)-3-chloro-1-benzothiophene-2-sulfonyl chloride
CID 141079511
2-(2-methyl-1-methylsulfanylpropan-2-yl)-1,3-benzoxazole
CID 10489184
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride?
The IUPAC name of N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride (CID 125425075) is N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride?
The canonical SMILES for N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride is C[S@@](=O)(=NS(=O)(=O)Cl)c1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride?
The InChIKey is UCCAVQNXGWIUAY-INIZCTEOSA-N. The full InChI is InChI=1S/C8H7ClN2O4S2/c1-16(12,11-17(9,13)14)8-10-6-4-2-3-5-7(6)15-8/h2-5H,1H3/t16-/m0/s1.
What are the key properties of N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride?
N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride has a molecular weight of 294.74 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride is sourced from PubChem (CID 125425075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).