N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride

C11H14ClN3O3S2 — CID 125424906

IUPACN-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCCn1c([S@@](=O)(CC)=NS(=O)(=O)Cl)nc2ccccc21
InChIInChI=1S/C11H14ClN3O3S2/c1-3-15-10-8-6-5-7-9(10)13-11(15)19(16,4-2)14-20(12,17)18/h5-8H,3-4H2,1-2H3/t19-/m0/s1
InChIKeyCTWYYEAVLPVGQU-IBGZPJMESA-N
MW335.84 g/mol
LogP2.39
Rot. Bonds4

About N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 125424906) has the molecular formula C11H14ClN3O3S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID125424906
Molecular FormulaC11H14ClN3O3S2
Molecular Weight335.84 g/mol
Exact Mass335.02
IUPAC NameN-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCCn1c([S@@](=O)(CC)=NS(=O)(=O)Cl)nc2ccccc21
InChIInChI=1S/C11H14ClN3O3S2/c1-3-15-10-8-6-5-7-9(10)13-11(15)19(16,4-2)14-20(12,17)18/h5-8H,3-4H2,1-2H3/t19-/m0/s1
InChIKeyCTWYYEAVLPVGQU-IBGZPJMESA-N
XLogP2.39
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
CID 165437989
1-ethyl-2-(tribromomethylsulfonyl)benzimidazole
CID 20741068
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 125424906) is N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride is CCn1c([S@@](=O)(CC)=NS(=O)(=O)Cl)nc2ccccc21.
What is the InChIKey of N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is CTWYYEAVLPVGQU-IBGZPJMESA-N. The full InChI is InChI=1S/C11H14ClN3O3S2/c1-3-15-10-8-6-5-7-9(10)13-11(15)19(16,4-2)14-20(12,17)18/h5-8H,3-4H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 335.84 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl-(1-ethylbenzimidazol-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 125424906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).