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

C15H12BrN3O3S2 — CID 3768639

IUPAC5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C15H12BrN3O3S2/c1-22-14-7-4-11(16)8-15(14)24(20,21)18-12-5-2-10(3-6-12)13-9-23-19-17-13/h2-9,18H,1H3
InChIKeyKVHNOUTUIIIFQL-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.78
Rot. Bonds5

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

5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 3768639) has the molecular formula C15H12BrN3O3S2 and a molecular weight of 426.32 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID3768639
Molecular FormulaC15H12BrN3O3S2
Molecular Weight426.32 g/mol
Exact Mass424.95
IUPAC Name5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C15H12BrN3O3S2/c1-22-14-7-4-11(16)8-15(14)24(20,21)18-12-5-2-10(3-6-12)13-9-23-19-17-13/h2-9,18H,1H3
InChIKeyKVHNOUTUIIIFQL-UHFFFAOYSA-N
XLogP3.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-methoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25047813
2-methoxy-5-nitro-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985401
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
2,5-dimethoxy-N-[[4-(thiadiazol-4-yl)phenyl]methyl]benzenesulfonamide
CID 25048385
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide (CID 3768639) is 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is KVHNOUTUIIIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S2/c1-22-14-7-4-11(16)8-15(14)24(20,21)18-12-5-2-10(3-6-12)13-9-23-19-17-13/h2-9,18H,1H3.
What are the key properties of 5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 426.32 g/mol, XLogP of 3.78, 5 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]benzenesulfonamide is sourced from PubChem (CID 3768639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).