N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

C14H20N4O2S — CID 62061953

IUPACN-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)c2ccccc2N)nc1C
InChIInChI=1S/C14H20N4O2S/c1-4-9-18-10-14(16-11(18)2)21(19,20)17(3)13-8-6-5-7-12(13)15/h5-8,10H,4,9,15H2,1-3H3
InChIKeyOYBMHIGCCZCZCI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.01
Rot. Bonds5

About N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide

N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (PubChem CID 62061953) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
PubChem CID62061953
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)c2ccccc2N)nc1C
InChIInChI=1S/C14H20N4O2S/c1-4-9-18-10-14(16-11(18)2)21(19,20)17(3)13-8-6-5-7-12(13)15/h5-8,10H,4,9,15H2,1-3H3
InChIKeyOYBMHIGCCZCZCI-UHFFFAOYSA-N
XLogP2.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-N,1-diethyl-2-methylimidazole-4-sulfonamide
CID 62102468
N,N-diethyl-2-methyl-1-propylimidazole-4-sulfonamide
CID 64591736
N-(2-chloroethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63396389
N-(cyanomethyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62064623
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62062481
N'-hydroxy-2-methyl-3-[methyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanimidamide
CID 76933289
N-(2-cyanopropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 62066991
N-[(3-bromocyclobutyl)methyl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 80674891
N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63062952
3-[ethyl-(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanethioamide
CID 62066618
N-(2-chloro-3-methoxypropyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide
CID 63400494
N-(2-chloroethyl)-2-methyl-N-pentan-3-yl-1-propylimidazole-4-sulfonamide
CID 63400927

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide (CID 62061953) is N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)c2ccccc2N)nc1C.
What is the InChIKey of N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The InChIKey is OYBMHIGCCZCZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-9-18-10-14(16-11(18)2)21(19,20)17(3)13-8-6-5-7-12(13)15/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N,2-dimethyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62061953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).