5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide

C16H14BrN3O3S2 — CID 25047813

IUPAC5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H14BrN3O3S2/c1-23-15-7-6-13(17)8-16(15)25(21,22)18-9-11-2-4-12(5-3-11)14-10-24-20-19-14/h2-8,10,18H,9H2,1H3
InChIKeyWSYCURJAUQELMZ-UHFFFAOYSA-N
MW440.34 g/mol
LogP3.45
Rot. Bonds6

About 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide

5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 25047813) has the molecular formula C16H14BrN3O3S2 and a molecular weight of 440.34 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
PubChem CID25047813
Molecular FormulaC16H14BrN3O3S2
Molecular Weight440.34 g/mol
Exact Mass438.97
IUPAC Name5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H14BrN3O3S2/c1-23-15-7-6-13(17)8-16(15)25(21,22)18-9-11-2-4-12(5-3-11)14-10-24-20-19-14/h2-8,10,18H,9H2,1H3
InChIKeyWSYCURJAUQELMZ-UHFFFAOYSA-N
XLogP3.45
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25048385
5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 3768639
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
6-(4-bromo-2-methoxyphenoxy)-5-nitro-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 3397432
4-iodo-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 3834955
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
5-bromo-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47158433
2-methoxy-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985401
5-bromo-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 35609931
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide (CID 25047813) is 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(-c2csnn2)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is WSYCURJAUQELMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3S2/c1-23-15-7-6-13(17)8-16(15)25(21,22)18-9-11-2-4-12(5-3-11)14-10-24-20-19-14/h2-8,10,18H,9H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 440.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 25047813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).