3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide

C16H17N3O5S2 — CID 25329934

IUPAC3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H17N3O5S2/c20-16(18-13-4-2-7-17-10-13)12-3-1-5-15(9-12)26(23,24)19-14-6-8-25(21,22)11-14/h1-5,7,9-10,14,19H,6,8,11H2,(H,18,20)/t14-/m0/s1
InChIKeyBIYKGWQMGNOQCT-AWEZNQCLSA-N
MW395.46 g/mol
LogP0.80
Rot. Bonds5

About 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide

3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide (PubChem CID 25329934) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
PubChem CID25329934
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H17N3O5S2/c20-16(18-13-4-2-7-17-10-13)12-3-1-5-15(9-12)26(23,24)19-14-6-8-25(21,22)11-14/h1-5,7,9-10,14,19H,6,8,11H2,(H,18,20)/t14-/m0/s1
InChIKeyBIYKGWQMGNOQCT-AWEZNQCLSA-N
XLogP0.80
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(3-methylsulfanylphenyl)benzamide
CID 24536263
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-fluoro-3-methylphenyl)benzamide
CID 90075154
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
3-[(2-oxopiperidin-3-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 74249952
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-benzhydryl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24536401
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 24564536

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide (CID 25329934) is 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide?
The InChIKey is BIYKGWQMGNOQCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c20-16(18-13-4-2-7-17-10-13)12-3-1-5-15(9-12)26(23,24)19-14-6-8-25(21,22)11-14/h1-5,7,9-10,14,19H,6,8,11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide?
3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 25329934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).