4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C16H16N4O2S2 — CID 70701446

IUPAC4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H16N4O2S2/c17-15-4-2-1-3-12(15)11-19-13-5-7-14(8-6-13)24(21,22)20-16-18-9-10-23-16/h1-10,19H,11,17H2,(H,18,20)
InChIKeyCUOCOMROZXDVOA-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.14
Rot. Bonds6

About 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701446) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701446
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H16N4O2S2/c17-15-4-2-1-3-12(15)11-19-13-5-7-14(8-6-13)24(21,22)20-16-18-9-10-23-16/h1-10,19H,11,17H2,(H,18,20)
InChIKeyCUOCOMROZXDVOA-UHFFFAOYSA-N
XLogP3.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701446) is 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccccc1CNc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is CUOCOMROZXDVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c17-15-4-2-1-3-12(15)11-19-13-5-7-14(8-6-13)24(21,22)20-16-18-9-10-23-16/h1-10,19H,11,17H2,(H,18,20).
What are the key properties of 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).