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

C17H16N4O3S2 — CID 66553076

IUPAC4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyMVVLOKWZBCMJJG-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.66
Rot. Bonds5

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

4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 66553076) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID66553076
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N
InChIInChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyMVVLOKWZBCMJJG-UHFFFAOYSA-N
XLogP2.66
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 66553076) is 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Cc1ccccc1C(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N.
What is the InChIKey of 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is MVVLOKWZBCMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-10-4-2-3-5-13(10)14(22)15-16(18)21-17(25-15)20-11-6-8-12(9-7-11)26(19,23)24/h2-9H,18H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 66553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).