N-tert-butylimidazole-1-sulfonamide

C7H13N3O2S — CID 174183105

IUPACN-tert-butylimidazole-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)n1ccnc1
InChIInChI=1S/C7H13N3O2S/c1-7(2,3)9-13(11,12)10-5-4-8-6-10/h4-6,9H,1-3H3
InChIKeyKMRWYKSFVUAWPR-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.36
Rot. Bonds2

About N-tert-butylimidazole-1-sulfonamide

N-tert-butylimidazole-1-sulfonamide (PubChem CID 174183105) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-tert-butylimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butylimidazole-1-sulfonamide
PubChem CID174183105
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-tert-butylimidazole-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)n1ccnc1
InChIInChI=1S/C7H13N3O2S/c1-7(2,3)9-13(11,12)10-5-4-8-6-10/h4-6,9H,1-3H3
InChIKeyKMRWYKSFVUAWPR-UHFFFAOYSA-N
XLogP0.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-bromo-2,5-dimethylphenyl)sulfonylimidazole
CID 846896
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azane;1-(4-methylphenyl)sulfonylimidazole
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CID 68743871
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
CID 86634167
N-(2-imidazol-1-ylsulfonyl-4-methylphenyl)acetamide
CID 35203398
1-(2,4-dichlorophenyl)sulfonylimidazole
CID 4914608
1-imidazol-1-ylsulfonylpiperidin-4-ol
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sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butylimidazole-1-sulfonamide?
The IUPAC name of N-tert-butylimidazole-1-sulfonamide (CID 174183105) is N-tert-butylimidazole-1-sulfonamide.
What is the SMILES notation for N-tert-butylimidazole-1-sulfonamide?
The canonical SMILES for N-tert-butylimidazole-1-sulfonamide is CC(C)(C)NS(=O)(=O)n1ccnc1.
What is the InChIKey of N-tert-butylimidazole-1-sulfonamide?
The InChIKey is KMRWYKSFVUAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-7(2,3)9-13(11,12)10-5-4-8-6-10/h4-6,9H,1-3H3.
What are the key properties of N-tert-butylimidazole-1-sulfonamide?
N-tert-butylimidazole-1-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylimidazole-1-sulfonamide is sourced from PubChem (CID 174183105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).