4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C18H17ClN2O5S2 — CID 3009168

IUPAC4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H17ClN2O5S2/c1-24-15-8-11(9-16(25-2)17(15)26-3)14-10-27-18(20-14)21-28(22,23)13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,20,21)
InChIKeyNKMCSRFMGOQYHC-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.29
Rot. Bonds7

About 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 3009168) has the molecular formula C18H17ClN2O5S2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID3009168
Molecular FormulaC18H17ClN2O5S2
Molecular Weight440.93 g/mol
Exact Mass440.03
IUPAC Name4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H17ClN2O5S2/c1-24-15-8-11(9-16(25-2)17(15)26-3)14-10-27-18(20-14)21-28(22,23)13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,20,21)
InChIKeyNKMCSRFMGOQYHC-UHFFFAOYSA-N
XLogP4.29
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
2-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4,5-dimethoxybenzenesulfonamide
CID 112773655
4-chloro-N-[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009164
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
4-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 2441401
2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 13177608
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 112813687
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
4-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;hydrobromide
CID 171669300
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide
CID 19203791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 3009168) is 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is COc1cc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is NKMCSRFMGOQYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5S2/c1-24-15-8-11(9-16(25-2)17(15)26-3)14-10-27-18(20-14)21-28(22,23)13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,20,21).
What are the key properties of 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 440.93 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3009168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).