4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide

C11H14N2O3S2 — CID 39826173

IUPAC4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC2)cc1
InChIInChI=1S/C11H14N2O3S2/c12-18(15,16)10-3-1-8(2-4-10)11(14)13-9-5-6-17-7-9/h1-4,9H,5-7H2,(H,13,14)(H2,12,15,16)/t9-/m0/s1
InChIKeyQLZPNJYJXQYSFY-VIFPVBQESA-N
MW286.38 g/mol
LogP0.57
Rot. Bonds3

About 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide

4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide (PubChem CID 39826173) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
PubChem CID39826173
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC2)cc1
InChIInChI=1S/C11H14N2O3S2/c12-18(15,16)10-3-1-8(2-4-10)11(14)13-9-5-6-17-7-9/h1-4,9H,5-7H2,(H,13,14)(H2,12,15,16)/t9-/m0/s1
InChIKeyQLZPNJYJXQYSFY-VIFPVBQESA-N
XLogP0.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-N-(thiolan-3-yl)benzamide
CID 103062722
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
N-(3-ethoxycyclobutyl)-4-sulfamoylbenzamide
CID 102610643
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
3-[(E)-N'-hydroxycarbamimidoyl]-N-(thiolan-3-yl)benzamide
CID 103064332
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
2-amino-N-(thiolan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103063030
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
N-(cyclobutylmethyl)-4-sulfamoylbenzamide
CID 43298916

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide (CID 39826173) is 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide is NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSC2)cc1.
What is the InChIKey of 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide?
The InChIKey is QLZPNJYJXQYSFY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3S2/c12-18(15,16)10-3-1-8(2-4-10)11(14)13-9-5-6-17-7-9/h1-4,9H,5-7H2,(H,13,14)(H2,12,15,16)/t9-/m0/s1.
What are the key properties of 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide?
4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide is sourced from PubChem (CID 39826173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).