2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C16H13Cl2N3O3S2 — CID 46701648

IUPAC2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOc1ccccc1Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H13Cl2N3O3S2/c1-24-13-5-3-2-4-10(13)8-15-19-20-16(25-15)21-26(22,23)14-7-6-11(17)9-12(14)18/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeySAWYOAKISDRGBH-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.25
Rot. Bonds6

About 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 46701648) has the molecular formula C16H13Cl2N3O3S2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID46701648
Molecular FormulaC16H13Cl2N3O3S2
Molecular Weight430.34 g/mol
Exact Mass428.98
IUPAC Name2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOc1ccccc1Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H13Cl2N3O3S2/c1-24-13-5-3-2-4-10(13)8-15-19-20-16(25-15)21-26(22,23)14-7-6-11(17)9-12(14)18/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeySAWYOAKISDRGBH-UHFFFAOYSA-N
XLogP4.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 68654278
4-(2,4-dichlorophenoxy)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 17319755
2,6-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17320202
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
2-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17320259
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
4-bromo-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319539
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
CID 10193584

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 46701648) is 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide is COc1ccccc1Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is SAWYOAKISDRGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S2/c1-24-13-5-3-2-4-10(13)8-15-19-20-16(25-15)21-26(22,23)14-7-6-11(17)9-12(14)18/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 430.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 46701648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).