N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

C17H16N2O3S2 — CID 2400649

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-12-3-9-15(10-4-12)24(20,21)19-17-18-16(11-23-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyHOSHSOKROXGRMT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 2400649) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID2400649
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O3S2/c1-12-3-9-15(10-4-12)24(20,21)19-17-18-16(11-23-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H,18,19)
InChIKeyHOSHSOKROXGRMT-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
ML277
CID 53347902
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-{2-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-N,N-dimethylbenzenesulfonamide
CID 135548673
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide (CID 2400649) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is HOSHSOKROXGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-12-3-9-15(10-4-12)24(20,21)19-17-18-16(11-23-17)13-5-7-14(22-2)8-6-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2400649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).