N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide

C10H10BrN5O5S3 — CID 11134231

IUPACN-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br
InChIInChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
InChIKeyURTDYVBTGQDEKN-UHFFFAOYSA-N
MW456.33 g/mol
LogP0.71
Rot. Bonds5

About N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide

N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 11134231) has the molecular formula C10H10BrN5O5S3 and a molecular weight of 456.33 g/mol. Its IUPAC name is N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID11134231
Molecular FormulaC10H10BrN5O5S3
Molecular Weight456.33 g/mol
Exact Mass454.90
IUPAC NameN-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br
InChIInChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
InChIKeyURTDYVBTGQDEKN-UHFFFAOYSA-N
XLogP0.71
TPSA161.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 11134231) is N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Br.
What is the InChIKey of N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is URTDYVBTGQDEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19).
What are the key properties of N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 456.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 11134231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).