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

C9H8ClN3O2S2 — CID 75389571

IUPAC4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C9H8ClN3O2S2/c1-6-4-7(10)2-3-8(6)17(14,15)13-9-12-11-5-16-9/h2-5H,1H3,(H,12,13)
InChIKeySURLVWCYUSKSAY-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.30
Rot. Bonds3

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

4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 75389571) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID75389571
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC Name4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1nncs1
InChIInChI=1S/C9H8ClN3O2S2/c1-6-4-7(10)2-3-8(6)17(14,15)13-9-12-11-5-16-9/h2-5H,1H3,(H,12,13)
InChIKeySURLVWCYUSKSAY-UHFFFAOYSA-N
XLogP2.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(1,3,4-thiadiazol-2-yl)-4-(trihydroxy-λ4-sulfanyl)benzenesulfonamide
CID 123850720
2-methyl-1-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-disulfonamide
CID 58302562
2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389570
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
CID 25042460
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247
3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 28529159
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 75389571) is 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1nncs1.
What is the InChIKey of 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is SURLVWCYUSKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S2/c1-6-4-7(10)2-3-8(6)17(14,15)13-9-12-11-5-16-9/h2-5H,1H3,(H,12,13).
What are the key properties of 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 289.77 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75389571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).