2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide

C11H11Cl2N3O3S2 — CID 106000088

IUPAC2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(CO)c2Cl)s1
InChIInChI=1S/C11H11Cl2N3O3S2/c1-2-9-14-15-11(20-9)16-21(18,19)8-4-7(12)3-6(5-17)10(8)13/h3-4,17H,2,5H2,1H3,(H,15,16)
InChIKeyQQZZGBTVFDUHNC-UHFFFAOYSA-N
MW368.27 g/mol
LogP2.70
Rot. Bonds5

About 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide

2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 106000088) has the molecular formula C11H11Cl2N3O3S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide
PubChem CID106000088
Molecular FormulaC11H11Cl2N3O3S2
Molecular Weight368.27 g/mol
Exact Mass366.96
IUPAC Name2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(CO)c2Cl)s1
InChIInChI=1S/C11H11Cl2N3O3S2/c1-2-9-14-15-11(20-9)16-21(18,19)8-4-7(12)3-6(5-17)10(8)13/h3-4,17H,2,5H2,1H3,(H,15,16)
InChIKeyQQZZGBTVFDUHNC-UHFFFAOYSA-N
XLogP2.70
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-5-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089839
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
CID 107641501
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089754
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 107642976
4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106089720
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylbenzenesulfonamide
CID 106089812
5-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-sulfonamide
CID 106089733
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide (CID 106000088) is 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cc(Cl)cc(CO)c2Cl)s1.
What is the InChIKey of 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is QQZZGBTVFDUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O3S2/c1-2-9-14-15-11(20-9)16-21(18,19)8-4-7(12)3-6(5-17)10(8)13/h3-4,17H,2,5H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide?
2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide has a molecular weight of 368.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106000088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).