2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide

C17H17N3O4S2 — CID 25048385

IUPAC2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3csnn3)cc2)c1
InChIInChI=1S/C17H17N3O4S2/c1-23-14-7-8-16(24-2)17(9-14)26(21,22)18-10-12-3-5-13(6-4-12)15-11-25-20-19-15/h3-9,11,18H,10H2,1-2H3
InChIKeyCQNXOVJKZDIZTL-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.70
Rot. Bonds7

About 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide

2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 25048385) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
PubChem CID25048385
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3csnn3)cc2)c1
InChIInChI=1S/C17H17N3O4S2/c1-23-14-7-8-16(24-2)17(9-14)26(21,22)18-10-12-3-5-13(6-4-12)15-11-25-20-19-15/h3-9,11,18H,10H2,1-2H3
InChIKeyCQNXOVJKZDIZTL-UHFFFAOYSA-N
XLogP2.70
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25047813
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 3768639
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 3834955
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 55627601
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2-methoxy-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985401
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
CID 166221599

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide (CID 25048385) is 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCc2ccc(-c3csnn3)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is CQNXOVJKZDIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-23-14-7-8-16(24-2)17(9-14)26(21,22)18-10-12-3-5-13(6-4-12)15-11-25-20-19-15/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 25048385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).