N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide

C14H12ClN3O4S2 — CID 75422481

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)c1
InChIInChI=1S/C14H12ClN3O4S2/c1-21-8-3-6-11(22-2)12(7-8)24(19,20)18-13-9(15)4-5-10-14(13)17-23-16-10/h3-7,18H,1-2H3
InChIKeyRLHJGBBFBHNSHL-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.16
Rot. Bonds5

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 75422481) has the molecular formula C14H12ClN3O4S2 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID75422481
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.85 g/mol
Exact Mass385.00
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)c1
InChIInChI=1S/C14H12ClN3O4S2/c1-21-8-3-6-11(22-2)12(7-8)24(19,20)18-13-9(15)4-5-10-14(13)17-23-16-10/h3-7,18H,1-2H3
InChIKeyRLHJGBBFBHNSHL-UHFFFAOYSA-N
XLogP3.16
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide (CID 75422481) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2c(Cl)ccc3nsnc23)c1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is RLHJGBBFBHNSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S2/c1-21-8-3-6-11(22-2)12(7-8)24(19,20)18-13-9(15)4-5-10-14(13)17-23-16-10/h3-7,18H,1-2H3.
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 385.85 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 75422481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).