3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C12H12ClN3O3S2 — CID 16551103

IUPAC3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H12ClN3O3S2/c1-8-15-16-12(20-8)14-11(17)6-7-21(18,19)10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,16,17)
InChIKeySQLKVODGVHSSOG-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.30
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 16551103) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID16551103
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H12ClN3O3S2/c1-8-15-16-12(20-8)14-11(17)6-7-21(18,19)10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,16,17)
InChIKeySQLKVODGVHSSOG-UHFFFAOYSA-N
XLogP2.30
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 16552582
3-(4-chlorophenyl)sulfonyl-N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 41151675
3-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938501
4-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide
CID 41319706
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
CID 18076703
2-[(4-methylphenyl)sulfonylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 671679
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 18076696
3-(4-chlorophenyl)sulfonyl-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 86942122
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 16551103) is 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is SQLKVODGVHSSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-8-15-16-12(20-8)14-11(17)6-7-21(18,19)10-4-2-9(13)3-5-10/h2-5H,6-7H2,1H3,(H,14,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 16551103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).