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

C16H16N4O2S2 — CID 71580375

IUPAC4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C16H16N4O2S2/c17-13-3-1-12(2-4-13)11-19-14-5-7-15(8-6-14)24(21,22)20-16-18-9-10-23-16/h1-10,19H,11,17H2,(H,18,20)
InChIKeyLQMSWOGGBUIKOP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.14
Rot. Bonds6

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

4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71580375) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71580375
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C16H16N4O2S2/c17-13-3-1-12(2-4-13)11-19-14-5-7-15(8-6-14)24(21,22)20-16-18-9-10-23-16/h1-10,19H,11,17H2,(H,18,20)
InChIKeyLQMSWOGGBUIKOP-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 135980493
4-(2-methyl-2-propan-2-ylsulfanylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 170091244
4-[(2,4-dioxo-1H-pteridin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 169451678
N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167823833
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118733952
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71580375) is 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LQMSWOGGBUIKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c17-13-3-1-12(2-4-13)11-19-14-5-7-15(8-6-14)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-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(4-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-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71580375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).