3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide

C17H17ClN2O4S — CID 2472408

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H17ClN2O4S/c1-24-16-8-5-12(18)10-15(16)20-25(22,23)14-4-2-3-11(9-14)17(21)19-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21)
InChIKeyGRXYOGCFOJMLIO-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.04
Rot. Bonds6

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide (PubChem CID 2472408) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
PubChem CID2472408
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C17H17ClN2O4S/c1-24-16-8-5-12(18)10-15(16)20-25(22,23)14-4-2-3-11(9-14)17(21)19-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21)
InChIKeyGRXYOGCFOJMLIO-UHFFFAOYSA-N
XLogP3.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide (CID 2472408) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide?
The InChIKey is GRXYOGCFOJMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-24-16-8-5-12(18)10-15(16)20-25(22,23)14-4-2-3-11(9-14)17(21)19-13-6-7-13/h2-5,8-10,13,20H,6-7H2,1H3,(H,19,21).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide has a molecular weight of 380.85 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 2472408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).