3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C9H8ClN3O3S2 — CID 163351568

IUPAC3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl
InChIInChI=1S/C9H8ClN3O3S2/c1-16-8-3-2-6(4-7(8)10)18(14,15)13-9-12-11-5-17-9/h2-5H,1H3,(H,12,13)
InChIKeyJYVWGFFZDCXNSE-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.00
Rot. Bonds4

About 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 163351568) has the molecular formula C9H8ClN3O3S2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID163351568
Molecular FormulaC9H8ClN3O3S2
Molecular Weight305.77 g/mol
Exact Mass304.97
IUPAC Name3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl
InChIInChI=1S/C9H8ClN3O3S2/c1-16-8-3-2-6(4-7(8)10)18(14,15)13-9-12-11-5-17-9/h2-5H,1H3,(H,12,13)
InChIKeyJYVWGFFZDCXNSE-UHFFFAOYSA-N
XLogP2.00
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-4-methoxy-N-(3-methylpyridazin-4-yl)benzenesulfonamide
CID 75458372
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 28529159
N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 113044338
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
4-ethoxy-3-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081343

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 163351568) is 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is JYVWGFFZDCXNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3S2/c1-16-8-3-2-6(4-7(8)10)18(14,15)13-9-12-11-5-17-9/h2-5H,1H3,(H,12,13).
What are the key properties of 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 305.77 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 163351568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).