N-prop-2-ynyl-4-sulfamoylbenzamide

C10H10N2O3S — CID 11851424

IUPACN-prop-2-ynyl-4-sulfamoylbenzamide
SMILESC#CCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
InChIKeyKRDXLVUMSYUYOP-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.30
Rot. Bonds3

About N-prop-2-ynyl-4-sulfamoylbenzamide

N-prop-2-ynyl-4-sulfamoylbenzamide (PubChem CID 11851424) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is N-prop-2-ynyl-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-prop-2-ynyl-4-sulfamoylbenzamide
PubChem CID11851424
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC NameN-prop-2-ynyl-4-sulfamoylbenzamide
SMILESC#CCNC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
InChIKeyKRDXLVUMSYUYOP-UHFFFAOYSA-N
XLogP-0.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-4-sulfamoylbenzamide?
The IUPAC name of N-prop-2-ynyl-4-sulfamoylbenzamide (CID 11851424) is N-prop-2-ynyl-4-sulfamoylbenzamide.
What is the SMILES notation for N-prop-2-ynyl-4-sulfamoylbenzamide?
The canonical SMILES for N-prop-2-ynyl-4-sulfamoylbenzamide is C#CCNC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-prop-2-ynyl-4-sulfamoylbenzamide?
The InChIKey is KRDXLVUMSYUYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15).
What are the key properties of N-prop-2-ynyl-4-sulfamoylbenzamide?
N-prop-2-ynyl-4-sulfamoylbenzamide has a molecular weight of 238.27 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-4-sulfamoylbenzamide is sourced from PubChem (CID 11851424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).