N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide

C17H16ClN3O5S2 — CID 153381056

IUPACN-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(-c2nnc(NS(=O)(=O)c3c(OC)cccc3OC)s2)c1
InChIInChI=1S/C17H16ClN3O5S2/c1-24-10-7-8-12(18)11(9-10)16-19-20-17(27-16)21-28(22,23)15-13(25-2)5-4-6-14(15)26-3/h4-9H,1-3H3,(H,20,21)
InChIKeySOWZNGQZUYVFKR-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.69
Rot. Bonds7

About N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide

N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide (PubChem CID 153381056) has the molecular formula C17H16ClN3O5S2 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide
PubChem CID153381056
Molecular FormulaC17H16ClN3O5S2
Molecular Weight441.92 g/mol
Exact Mass441.02
IUPAC NameN-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(-c2nnc(NS(=O)(=O)c3c(OC)cccc3OC)s2)c1
InChIInChI=1S/C17H16ClN3O5S2/c1-24-10-7-8-12(18)11(9-10)16-19-20-17(27-16)21-28(22,23)15-13(25-2)5-4-6-14(15)26-3/h4-9H,1-3H3,(H,20,21)
InChIKeySOWZNGQZUYVFKR-UHFFFAOYSA-N
XLogP3.69
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 43812672
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457
3,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 68654278
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
5-fluoro-2-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100771142
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
N-[5-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 11235986
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523784
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091
2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 46701648
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide?
The IUPAC name of N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide (CID 153381056) is N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide is COc1ccc(Cl)c(-c2nnc(NS(=O)(=O)c3c(OC)cccc3OC)s2)c1.
What is the InChIKey of N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide?
The InChIKey is SOWZNGQZUYVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5S2/c1-24-10-7-8-12(18)11(9-10)16-19-20-17(27-16)21-28(22,23)15-13(25-2)5-4-6-14(15)26-3/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide?
N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide has a molecular weight of 441.92 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzenesulfonamide is sourced from PubChem (CID 153381056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).