N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide

C14H13N3O2S2 — CID 25049703

IUPACN-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C14H13N3O2S2/c18-21(19,12-6-2-1-3-7-12)15-10-9-11-5-4-8-13-14(11)17-20-16-13/h1-8,15H,9-10H2
InChIKeySLTPUDQUTBBDPC-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide

N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 25049703) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID25049703
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C14H13N3O2S2/c18-21(19,12-6-2-1-3-7-12)15-10-9-11-5-4-8-13-14(11)17-20-16-13/h1-8,15H,9-10H2
InChIKeySLTPUDQUTBBDPC-UHFFFAOYSA-N
XLogP2.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 2823180
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
2,1,3-benzothiadiazol-4-ylmethanethiol
CID 3063273
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]benzenesulfonamide
CID 92659518
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144795
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
CID 90765616
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide (CID 25049703) is N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc2nsnc12)c1ccccc1.
What is the InChIKey of N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SLTPUDQUTBBDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c18-21(19,12-6-2-1-3-7-12)15-10-9-11-5-4-8-13-14(11)17-20-16-13/h1-8,15H,9-10H2.
What are the key properties of N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide?
N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,1,3-benzothiadiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25049703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).