5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide

C13H17ClN2O4S — CID 65387428

IUPAC5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)N(C)CC2CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-16(7-8-3-4-8)13(17)10-5-9(14)6-11(12(10)20-2)21(15,18)19/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyIJQPEHCWCNPLFT-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.48
Rot. Bonds5

About 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide

5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide (PubChem CID 65387428) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
PubChem CID65387428
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide
SMILESCOc1c(C(=O)N(C)CC2CC2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-16(7-8-3-4-8)13(17)10-5-9(14)6-11(12(10)20-2)21(15,18)19/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyIJQPEHCWCNPLFT-UHFFFAOYSA-N
XLogP1.48
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide (CID 65387428) is 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide is COc1c(C(=O)N(C)CC2CC2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide?
The InChIKey is IJQPEHCWCNPLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-16(7-8-3-4-8)13(17)10-5-9(14)6-11(12(10)20-2)21(15,18)19/h5-6,8H,3-4,7H2,1-2H3,(H2,15,18,19).
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide?
5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).