4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide

C18H18N2O5S2 — CID 42571690

IUPAC4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
SMILESO=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O5S2/c21-18(20-16-10-11-26(22,23)13-16)15-8-6-14(7-9-15)12-19-27(24,25)17-4-2-1-3-5-17/h1-11,16,19H,12-13H2,(H,20,21)/t16-/m1/s1
InChIKeyGRHFJTGURLQXAA-MRXNPFEDSA-N
MW406.49 g/mol
LogP1.21
Rot. Bonds6

About 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide

4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide (PubChem CID 42571690) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
PubChem CID42571690
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC Name4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide
SMILESO=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O5S2/c21-18(20-16-10-11-26(22,23)13-16)15-8-6-14(7-9-15)12-19-27(24,25)17-4-2-1-3-5-17/h1-11,16,19H,12-13H2,(H,20,21)/t16-/m1/s1
InChIKeyGRHFJTGURLQXAA-MRXNPFEDSA-N
XLogP1.21
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide (CID 42571690) is 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide is O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
The InChIKey is GRHFJTGURLQXAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c21-18(20-16-10-11-26(22,23)13-16)15-8-6-14(7-9-15)12-19-27(24,25)17-4-2-1-3-5-17/h1-11,16,19H,12-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide?
4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]benzamide is sourced from PubChem (CID 42571690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).