N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride

C7H12ClN3O2S — CID 55280057

IUPACN-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
SMILESCC(C)(Cn1ccnc1)NS(=O)(=O)Cl
InChIInChI=1S/C7H12ClN3O2S/c1-7(2,10-14(8,12)13)5-11-4-3-9-6-11/h3-4,6,10H,5H2,1-2H3
InChIKeySGTTWDOSVJTASO-UHFFFAOYSA-N
MW237.71 g/mol
LogP0.73
Rot. Bonds4

About N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride

N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride (PubChem CID 55280057) has the molecular formula C7H12ClN3O2S and a molecular weight of 237.71 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
PubChem CID55280057
Molecular FormulaC7H12ClN3O2S
Molecular Weight237.71 g/mol
Exact Mass237.03
IUPAC NameN-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride
SMILESCC(C)(Cn1ccnc1)NS(=O)(=O)Cl
InChIInChI=1S/C7H12ClN3O2S/c1-7(2,10-14(8,12)13)5-11-4-3-9-6-11/h3-4,6,10H,5H2,1-2H3
InChIKeySGTTWDOSVJTASO-UHFFFAOYSA-N
XLogP0.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride?
The IUPAC name of N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride (CID 55280057) is N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride.
What is the SMILES notation for N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride?
The canonical SMILES for N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride is CC(C)(Cn1ccnc1)NS(=O)(=O)Cl.
What is the InChIKey of N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride?
The InChIKey is SGTTWDOSVJTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O2S/c1-7(2,10-14(8,12)13)5-11-4-3-9-6-11/h3-4,6,10H,5H2,1-2H3.
What are the key properties of N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride?
N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride has a molecular weight of 237.71 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-2-methylpropan-2-yl)sulfamoyl chloride is sourced from PubChem (CID 55280057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).