[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

C17H14N3O3S2- — CID 4747642

IUPAC[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1
InChIInChI=1S/C17H15N3O3S2/c1-12-2-4-13(5-3-12)16(21)19-14-6-8-15(9-7-14)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H2,18,19,20,21)/p-1
InChIKeyYAOHPVRUSLKKIE-UHFFFAOYSA-M
MW372.45 g/mol
LogP4.10
Rot. Bonds5

About [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (PubChem CID 4747642) has the molecular formula C17H14N3O3S2- and a molecular weight of 372.45 g/mol. Its IUPAC name is [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Name[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
PubChem CID4747642
Molecular FormulaC17H14N3O3S2-
Molecular Weight372.45 g/mol
Exact Mass372.05
IUPAC Name[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1
InChIInChI=1S/C17H15N3O3S2/c1-12-2-4-13(5-3-12)16(21)19-14-6-8-15(9-7-14)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H2,18,19,20,21)/p-1
InChIKeyYAOHPVRUSLKKIE-UHFFFAOYSA-M
XLogP4.10
TPSA90.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methylpropanoylamino)phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 5078003
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
silver [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377461
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027
[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747512
sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377460
[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 3644922
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The IUPAC name of [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (CID 4747642) is [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.
What is the SMILES notation for [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The canonical SMILES for [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1.
What is the InChIKey of [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The InChIKey is YAOHPVRUSLKKIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N3O3S2/c1-12-2-4-13(5-3-12)16(21)19-14-6-8-15(9-7-14)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H2,18,19,20,21)/p-1.
What are the key properties of [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide has a molecular weight of 372.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 4747642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).