N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide

C14H13N5O3S2 — CID 42534829

IUPACN-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccccn1
InChIInChI=1S/C14H13N5O3S2/c20-14(11-4-1-2-7-15-11)16-8-9-17-24(21,22)12-6-3-5-10-13(12)19-23-18-10/h1-7,17H,8-9H2,(H,16,20)
InChIKeyAZIRDAWOOSQMGJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide

N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide (PubChem CID 42534829) has the molecular formula C14H13N5O3S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide
PubChem CID42534829
Molecular FormulaC14H13N5O3S2
Molecular Weight363.42 g/mol
Exact Mass363.05
IUPAC NameN-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccccn1
InChIInChI=1S/C14H13N5O3S2/c20-14(11-4-1-2-7-15-11)16-8-9-17-24(21,22)12-6-3-5-10-13(12)19-23-18-10/h1-7,17H,8-9H2,(H,16,20)
InChIKeyAZIRDAWOOSQMGJ-UHFFFAOYSA-N
XLogP0.79
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]-1-methylindole-2-carboxamide
CID 29136512
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953208
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclohexylacetamide
CID 3240464
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
CID 55905079
N-prop-2-enyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3109773
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 100697740
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 4053515
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetic acid
CID 585289
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(2,3-dimethylphenyl)propanamide
CID 15987767

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide (CID 42534829) is N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide is O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccccn1.
What is the InChIKey of N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is AZIRDAWOOSQMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S2/c20-14(11-4-1-2-7-15-11)16-8-9-17-24(21,22)12-6-3-5-10-13(12)19-23-18-10/h1-7,17H,8-9H2,(H,16,20).
What are the key properties of N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42534829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).