1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide

C9H8ClN3O2S2 — CID 4654981

IUPAC1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1nncs1
InChIInChI=1S/C9H8ClN3O2S2/c10-8-4-2-1-3-7(8)5-17(14,15)13-9-12-11-6-16-9/h1-4,6H,5H2,(H,12,13)
InChIKeyIGHUZDGBYCLIQQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide

1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 4654981) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID4654981
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC Name1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1nncs1
InChIInChI=1S/C9H8ClN3O2S2/c10-8-4-2-1-3-7(8)5-17(14,15)13-9-12-11-6-16-9/h1-4,6H,5H2,(H,12,13)
InChIKeyIGHUZDGBYCLIQQ-UHFFFAOYSA-N
XLogP2.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 17257540
1-(2-chlorophenyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321688
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 17257620
1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106081189
1-(2-chlorophenyl)-N-(1,2,4-triazol-4-yl)methanesulfonamide
CID 17257539
1-(2-chlorophenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 17321687
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 71967960
8-chloro-N-(1,3,4-thiadiazol-2-yl)naphthalene-1-sulfonamide
CID 25042460
3-(1,3,4-thiadiazol-2-ylsulfamoylmethyl)benzenecarbothioamide
CID 54897181

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 4654981) is 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1nncs1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is IGHUZDGBYCLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S2/c10-8-4-2-1-3-7(8)5-17(14,15)13-9-12-11-6-16-9/h1-4,6H,5H2,(H,12,13).
What are the key properties of 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide?
1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 289.77 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 4654981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).