3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

C16H14N4O3S2 — CID 66553069

IUPAC3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)
InChIKeyHEKMYKTWCKGDFA-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.35
Rot. Bonds5

About 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide

3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 66553069) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID66553069
Molecular FormulaC16H14N4O3S2
Molecular Weight374.45 g/mol
Exact Mass374.05
IUPAC Name3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1ccccc1
InChIInChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23)
InChIKeyHEKMYKTWCKGDFA-UHFFFAOYSA-N
XLogP2.35
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 66553069) is 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide is Nc1nc(Nc2cccc(S(N)(=O)=O)c2)sc1C(=O)c1ccccc1.
What is the InChIKey of 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is HEKMYKTWCKGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c17-15-14(13(21)10-5-2-1-3-6-10)24-16(20-15)19-11-7-4-8-12(9-11)25(18,22)23/h1-9H,17H2,(H,19,20)(H2,18,22,23).
What are the key properties of 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 374.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 66553069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).