3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride

C10H7BrClN3O3S2 — CID 65199616

IUPAC3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H7BrClN3O3S2/c1-5-9(19-15-14-5)10(16)13-8-3-2-6(4-7(8)11)20(12,17)18/h2-4H,1H3,(H,13,16)
InChIKeyGUGSGNIOMMCQFJ-UHFFFAOYSA-N
MW396.68 g/mol
LogP2.79
Rot. Bonds3

About 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride

3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 65199616) has the molecular formula C10H7BrClN3O3S2 and a molecular weight of 396.68 g/mol. Its IUPAC name is 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
PubChem CID65199616
Molecular FormulaC10H7BrClN3O3S2
Molecular Weight396.68 g/mol
Exact Mass394.88
IUPAC Name3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
SMILESCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C10H7BrClN3O3S2/c1-5-9(19-15-14-5)10(16)13-8-3-2-6(4-7(8)11)20(12,17)18/h2-4H,1H3,(H,13,16)
InChIKeyGUGSGNIOMMCQFJ-UHFFFAOYSA-N
XLogP2.79
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
CID 65199256
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 35177209
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride (CID 65199616) is 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride is Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is GUGSGNIOMMCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O3S2/c1-5-9(19-15-14-5)10(16)13-8-3-2-6(4-7(8)11)20(12,17)18/h2-4H,1H3,(H,13,16).
What are the key properties of 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride?
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 396.68 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 65199616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).