3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride

C10H8ClN3O3S2 — CID 65216209

IUPAC3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cnns1
InChIInChI=1S/C10H8ClN3O3S2/c1-6-4-7(19(11,16)17)2-3-8(6)13-10(15)9-5-12-14-18-9/h2-5H,1H3,(H,13,15)
InChIKeyCLUNBEGUPGOPBA-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.03
Rot. Bonds3

About 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride

3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 65216209) has the molecular formula C10H8ClN3O3S2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
PubChem CID65216209
Molecular FormulaC10H8ClN3O3S2
Molecular Weight317.78 g/mol
Exact Mass316.97
IUPAC Name3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cnns1
InChIInChI=1S/C10H8ClN3O3S2/c1-6-4-7(19(11,16)17)2-3-8(6)13-10(15)9-5-12-14-18-9/h2-5H,1H3,(H,13,15)
InChIKeyCLUNBEGUPGOPBA-UHFFFAOYSA-N
XLogP2.03
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216096
3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216262
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
2-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216260
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 104785746
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]thiadiazole-5-carboxamide
CID 65215724
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
CID 65215255
5-chloro-2-(thiadiazole-5-carbonylamino)benzoic acid
CID 43522632

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride (CID 65216209) is 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cnns1.
What is the InChIKey of 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is CLUNBEGUPGOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3S2/c1-6-4-7(19(11,16)17)2-3-8(6)13-10(15)9-5-12-14-18-9/h2-5H,1H3,(H,13,15).
What are the key properties of 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 317.78 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 65216209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).