N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

C16H19N3O2S — CID 4146165

IUPACN-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(NN(C)C)c2ccccc2)cc1
InChIInChI=1S/C16H19N3O2S/c1-13-9-11-15(12-10-13)22(20,21)18-16(17-19(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,17,18)
InChIKeyDYJXNGXCRDOMBP-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.20
Rot. Bonds4

About N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 4146165) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID4146165
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(NN(C)C)c2ccccc2)cc1
InChIInChI=1S/C16H19N3O2S/c1-13-9-11-15(12-10-13)22(20,21)18-16(17-19(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,17,18)
InChIKeyDYJXNGXCRDOMBP-UHFFFAOYSA-N
XLogP2.20
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 4146165) is N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N=C(NN(C)C)c2ccccc2)cc1.
What is the InChIKey of N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is DYJXNGXCRDOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-13-9-11-15(12-10-13)22(20,21)18-16(17-19(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,17,18).
What are the key properties of N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 317.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylamino)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 4146165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).