4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

C20H22Cl2N6O3S — CID 44610693

IUPAC4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C11H13N3O3S.C9H9Cl2N3/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h3-6,14H,12H2,1-2H3;1-3H,4-5H2,(H2,12,13,14)
InChIKeyUNIDKNZGRGCFCQ-UHFFFAOYSA-N
MW497.41 g/mol
LogP4.04
Rot. Bonds4

About 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 44610693) has the molecular formula C20H22Cl2N6O3S and a molecular weight of 497.41 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID44610693
Molecular FormulaC20H22Cl2N6O3S
Molecular Weight497.41 g/mol
Exact Mass496.09
IUPAC Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.Clc1cccc(Cl)c1NC1=NCCN1
InChIInChI=1S/C11H13N3O3S.C9H9Cl2N3/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h3-6,14H,12H2,1-2H3;1-3H,4-5H2,(H2,12,13,14)
InChIKeyUNIDKNZGRGCFCQ-UHFFFAOYSA-N
XLogP4.04
TPSA134.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 44610693) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine is Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.Clc1cccc(Cl)c1NC1=NCCN1.
What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UNIDKNZGRGCFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S.C9H9Cl2N3/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h3-6,14H,12H2,1-2H3;1-3H,4-5H2,(H2,12,13,14).
What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 497.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 44610693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).