1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea

C11H11ClN4O3S2 — CID 24834715

IUPAC1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)Nc2nnc(Cl)s2)c1
InChIInChI=1S/C11H11ClN4O3S2/c1-6-3-4-7(2)8(5-6)21(18,19)16-10(17)13-11-15-14-9(12)20-11/h3-5H,1-2H3,(H2,13,15,16,17)
InChIKeyOCXIJLXTBGJQQB-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.32
Rot. Bonds3

About 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea

1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea (PubChem CID 24834715) has the molecular formula C11H11ClN4O3S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea
PubChem CID24834715
Molecular FormulaC11H11ClN4O3S2
Molecular Weight346.82 g/mol
Exact Mass346.00
IUPAC Name1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea
SMILESCc1ccc(C)c(S(=O)(=O)NC(=O)Nc2nnc(Cl)s2)c1
InChIInChI=1S/C11H11ClN4O3S2/c1-6-3-4-7(2)8(5-6)21(18,19)16-10(17)13-11-15-14-9(12)20-11/h3-5H,1-2H3,(H2,13,15,16,17)
InChIKeyOCXIJLXTBGJQQB-UHFFFAOYSA-N
XLogP2.32
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 31264739
2,5-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100714242
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31265126
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methylphenyl)sulfonylurea
CID 14578292
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
CID 24819123
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide
CID 71852238
1-(2-methylphenyl)sulfonyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 14578280

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea?
The IUPAC name of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea (CID 24834715) is 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea.
What is the SMILES notation for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea?
The canonical SMILES for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea is Cc1ccc(C)c(S(=O)(=O)NC(=O)Nc2nnc(Cl)s2)c1.
What is the InChIKey of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea?
The InChIKey is OCXIJLXTBGJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S2/c1-6-3-4-7(2)8(5-6)21(18,19)16-10(17)13-11-15-14-9(12)20-11/h3-5H,1-2H3,(H2,13,15,16,17).
What are the key properties of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea?
1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea has a molecular weight of 346.82 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-3-(2,5-dimethylphenyl)sulfonylurea is sourced from PubChem (CID 24834715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).