2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C16H16Cl2N2O4S2 — CID 17491121

IUPAC2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H16Cl2N2O4S2/c17-14-8-13(15(18)25-14)26(22,23)20-12-6-2-1-5-11(12)16(21)19-9-10-4-3-7-24-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,19,21)
InChIKeyWBNTVRSEGPRTAJ-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.76
Rot. Bonds6

About 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17491121) has the molecular formula C16H16Cl2N2O4S2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17491121
Molecular FormulaC16H16Cl2N2O4S2
Molecular Weight435.35 g/mol
Exact Mass433.99
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H16Cl2N2O4S2/c17-14-8-13(15(18)25-14)26(22,23)20-12-6-2-1-5-11(12)16(21)19-9-10-4-3-7-24-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,19,21)
InChIKeyWBNTVRSEGPRTAJ-UHFFFAOYSA-N
XLogP3.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 40821094
2-[(2,5-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40821093
2-[(5-bromo-2-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331442
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 8843726
dimethyl 2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 26268965
2-[(2,6-difluorophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843734
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843752

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 17491121) is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WBNTVRSEGPRTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S2/c17-14-8-13(15(18)25-14)26(22,23)20-12-6-2-1-5-11(12)16(21)19-9-10-4-3-7-24-10/h1-2,5-6,8,10,20H,3-4,7,9H2,(H,19,21).
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 435.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17491121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).