N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

C13H17N3O3S — CID 63562561

IUPACN-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncc[nH]2)ccc1OC(C)C
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-12-5-4-11(8-10(12)3)20(17,18)16-13-14-6-7-15-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyRMVPPXKRYBRLED-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.31
Rot. Bonds5

About N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 63562561) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID63562561
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncc[nH]2)ccc1OC(C)C
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-12-5-4-11(8-10(12)3)20(17,18)16-13-14-6-7-15-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyRMVPPXKRYBRLED-UHFFFAOYSA-N
XLogP2.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
4-butan-2-yl-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 55212177
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
CID 63564855
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 63562561) is N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ncc[nH]2)ccc1OC(C)C.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is RMVPPXKRYBRLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)19-12-5-4-11(8-10(12)3)20(17,18)16-13-14-6-7-15-13/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 63562561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).