5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide

C18H17ClN2O4S — CID 10500755

IUPAC5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide
SMILESC#Cc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(N)(=O)=O
InChIInChI=1S/C18H17ClN2O4S/c1-3-13-5-4-12(10-17(13)26(20,23)24)8-9-21-18(22)15-11-14(19)6-7-16(15)25-2/h1,4-7,10-11H,8-9H2,2H3,(H,21,22)(H2,20,23,24)
InChIKeyIGRRXVLMSWMJKF-UHFFFAOYSA-N
MW392.86 g/mol
LogP1.95
Rot. Bonds6

About 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide (PubChem CID 10500755) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide
PubChem CID10500755
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide
SMILESC#Cc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(N)(=O)=O
InChIInChI=1S/C18H17ClN2O4S/c1-3-13-5-4-12(10-17(13)26(20,23)24)8-9-21-18(22)15-11-14(19)6-7-16(15)25-2/h1,4-7,10-11H,8-9H2,2H3,(H,21,22)(H2,20,23,24)
InChIKeyIGRRXVLMSWMJKF-UHFFFAOYSA-N
XLogP1.95
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
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2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
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sodium;5-chloro-2-methoxy-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]benzamide;hydride
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2-[4-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]phenyl]acetic acid
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N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
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5-chloro-2-methoxy-N-[2-[3-(methylcarbamothioylsulfamoyl)-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide (CID 10500755) is 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide is C#Cc1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is IGRRXVLMSWMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-3-13-5-4-12(10-17(13)26(20,23)24)8-9-21-18(22)15-11-14(19)6-7-16(15)25-2/h1,4-7,10-11H,8-9H2,2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 392.86 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-ethynyl-3-sulfamoylphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 10500755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).