N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide

C12H13N3O3S — CID 63563189

IUPACN-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C12H13N3O3S/c1-2-11(16)9-4-3-5-10(8-9)19(17,18)15-12-13-6-7-14-12/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyGFMSWOKMGWWXLG-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.80
Rot. Bonds5

About N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide

N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide (PubChem CID 63563189) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
PubChem CID63563189
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C12H13N3O3S/c1-2-11(16)9-4-3-5-10(8-9)19(17,18)15-12-13-6-7-14-12/h3-8H,2H2,1H3,(H2,13,14,15)
InChIKeyGFMSWOKMGWWXLG-UHFFFAOYSA-N
XLogP1.80
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
CID 122157515
3-[1-(ethylamino)propyl]-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563188
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772
N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-propanoylbenzenesulfonic acid
CID 148597255
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614
3-propanoyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61253931

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide (CID 63563189) is N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide?
The InChIKey is GFMSWOKMGWWXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-2-11(16)9-4-3-5-10(8-9)19(17,18)15-12-13-6-7-14-12/h3-8H,2H2,1H3,(H2,13,14,15).
What are the key properties of N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide?
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.80, 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-propanoylbenzenesulfonamide is sourced from PubChem (CID 63563189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).