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

C9H8ClN3O2S2 — CID 75389570

IUPAC2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nncs2)c(Cl)c1
InChIInChI=1S/C9H8ClN3O2S2/c1-6-2-3-8(7(10)4-6)17(14,15)13-9-12-11-5-16-9/h2-5H,1H3,(H,12,13)
InChIKeyWHIVSIXBJNRTEK-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.30
Rot. Bonds3

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

2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 75389570) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID75389570
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC Name2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nncs2)c(Cl)c1
InChIInChI=1S/C9H8ClN3O2S2/c1-6-2-3-8(7(10)4-6)17(14,15)13-9-12-11-5-16-9/h2-5H,1H3,(H,12,13)
InChIKeyWHIVSIXBJNRTEK-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

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Related Compounds

4-chloro-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 75389571
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-N-(4-cyclohexyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 167879332
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
CID 25042460
2-chloro-N-(2,6-difluoro-3-pyridinyl)-4-methylbenzenesulfonamide
CID 103098259
3-amino-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 28529159
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 75389570) is 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nncs2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is WHIVSIXBJNRTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S2/c1-6-2-3-8(7(10)4-6)17(14,15)13-9-12-11-5-16-9/h2-5H,1H3,(H,12,13).
What are the key properties of 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-chloro-4-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 2-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75389570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).