6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide

C13H10N4O3S2 — CID 75524742

IUPAC6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccs1)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C13H10N4O3S2/c18-13(16-22(19,20)12-5-2-8-21-12)10-3-1-4-11(15-10)17-7-6-14-9-17/h1-9H,(H,16,18)
InChIKeyXTWDWKXHRQIDAY-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.45
Rot. Bonds4

About 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide

6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide (PubChem CID 75524742) has the molecular formula C13H10N4O3S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide
PubChem CID75524742
Molecular FormulaC13H10N4O3S2
Molecular Weight334.38 g/mol
Exact Mass334.02
IUPAC Name6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cccs1)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C13H10N4O3S2/c18-13(16-22(19,20)12-5-2-8-21-12)10-3-1-4-11(15-10)17-7-6-14-9-17/h1-9H,(H,16,18)
InChIKeyXTWDWKXHRQIDAY-UHFFFAOYSA-N
XLogP1.45
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
N-(6-imidazol-1-ylpyrimidin-4-yl)thiophene-2-sulfonamide
CID 121135238
N-(6-imidazol-1-yl-3-pyridinyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55829891
6-imidazol-1-yl-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 166481480
N-(3,4-difluorophenyl)-6-imidazol-1-ylpyridine-2-carboxamide
CID 166481211
6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 166206985
6-imidazol-1-ylpyridine-2-carboximidamide
CID 64595368
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672
thiophen-2-ylsulfonylurea;urea
CID 19065180
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 75401232

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide (CID 75524742) is 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide is O=C(NS(=O)(=O)c1cccs1)c1cccc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide?
The InChIKey is XTWDWKXHRQIDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S2/c18-13(16-22(19,20)12-5-2-8-21-12)10-3-1-4-11(15-10)17-7-6-14-9-17/h1-9H,(H,16,18).
What are the key properties of 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide?
6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 75524742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).