3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

C10H10ClN3O2S2 — CID 21081317

IUPAC3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-8(11)4-3-5-9(6)18(15,16)14-10-12-7(2)13-17-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXCSXFDNHNNHGGQ-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.61
Rot. Bonds3

About 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 21081317) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID21081317
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-8(11)4-3-5-9(6)18(15,16)14-10-12-7(2)13-17-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXCSXFDNHNNHGGQ-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 21081317) is 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is XCSXFDNHNNHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-8(11)4-3-5-9(6)18(15,16)14-10-12-7(2)13-17-10/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 303.80 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 21081317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).