1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid

C10H9N3O4S — CID 54530501

IUPAC1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H9N3O4S/c14-10(15)13(8-4-2-1-3-5-8)18(16,17)9-6-11-7-12-9/h1-7H,(H,11,12)(H,14,15)
InChIKeyYWELQNQYBJULAL-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.28
Rot. Bonds3

About 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid

1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid (PubChem CID 54530501) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid.

Molecular Properties

Compound Name1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid
PubChem CID54530501
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C10H9N3O4S/c14-10(15)13(8-4-2-1-3-5-8)18(16,17)9-6-11-7-12-9/h1-7H,(H,11,12)(H,14,15)
InChIKeyYWELQNQYBJULAL-UHFFFAOYSA-N
XLogP1.28
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid?
The IUPAC name of 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid (CID 54530501) is 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid.
What is the SMILES notation for 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid?
The canonical SMILES for 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid is O=C(O)N(c1ccccc1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid?
The InChIKey is YWELQNQYBJULAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-10(15)13(8-4-2-1-3-5-8)18(16,17)9-6-11-7-12-9/h1-7H,(H,11,12)(H,14,15).
What are the key properties of 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid?
1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid has a molecular weight of 267.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid is sourced from PubChem (CID 54530501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).