N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide

C14H14N2O3S2 — CID 10087507

IUPACN-(phenylsulfanylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCSc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S2/c15-21(18,19)13-8-6-11(7-9-13)14(17)16-10-20-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKeyUSAGCQZMHUXNIZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.81
Rot. Bonds5

About N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide

N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide (PubChem CID 10087507) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(phenylsulfanylmethyl)-4-sulfamoylbenzamide
PubChem CID10087507
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(phenylsulfanylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCSc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S2/c15-21(18,19)13-8-6-11(7-9-13)14(17)16-10-20-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKeyUSAGCQZMHUXNIZ-UHFFFAOYSA-N
XLogP1.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide (CID 10087507) is N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCSc2ccccc2)cc1.
What is the InChIKey of N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide?
The InChIKey is USAGCQZMHUXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c15-21(18,19)13-8-6-11(7-9-13)14(17)16-10-20-12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide?
N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylsulfanylmethyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 10087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).