N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide

C10H11BrN4O2S2 — CID 46785999

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
SMILESNc1nnc(CCNS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H11BrN4O2S2/c11-7-1-3-8(4-2-7)19(16,17)13-6-5-9-14-15-10(12)18-9/h1-4,13H,5-6H2,(H2,12,15)
InChIKeyMTIQWVSOLZVVLN-UHFFFAOYSA-N
MW363.26 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide (PubChem CID 46785999) has the molecular formula C10H11BrN4O2S2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
PubChem CID46785999
Molecular FormulaC10H11BrN4O2S2
Molecular Weight363.26 g/mol
Exact Mass361.95
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide
SMILESNc1nnc(CCNS(=O)(=O)c2ccc(Br)cc2)s1
InChIInChI=1S/C10H11BrN4O2S2/c11-7-1-3-8(4-2-7)19(16,17)13-6-5-9-14-15-10(12)18-9/h1-4,13H,5-6H2,(H2,12,15)
InChIKeyMTIQWVSOLZVVLN-UHFFFAOYSA-N
XLogP1.40
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518
2-(4-bromophenyl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193367
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92659524
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193287
5-[(4-bromophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 673921
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide (CID 46785999) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide is Nc1nnc(CCNS(=O)(=O)c2ccc(Br)cc2)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide?
The InChIKey is MTIQWVSOLZVVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S2/c11-7-1-3-8(4-2-7)19(16,17)13-6-5-9-14-15-10(12)18-9/h1-4,13H,5-6H2,(H2,12,15).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide has a molecular weight of 363.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-bromobenzenesulfonamide is sourced from PubChem (CID 46785999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).