3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide

C13H17ClN2O4S — CID 107100983

IUPAC3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NC1CCCOC1
InChIInChI=1S/C13H17ClN2O4S/c1-8-11(5-10(6-12(8)14)21(15,18)19)13(17)16-9-3-2-4-20-7-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyYFDPBEZPBFGQKW-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.20
Rot. Bonds3

About 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide

3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide (PubChem CID 107100983) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
PubChem CID107100983
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NC1CCCOC1
InChIInChI=1S/C13H17ClN2O4S/c1-8-11(5-10(6-12(8)14)21(15,18)19)13(17)16-9-3-2-4-20-7-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyYFDPBEZPBFGQKW-UHFFFAOYSA-N
XLogP1.20
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 65388673
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580
3-chloro-N-(3-cyclopropylpropyl)-2-methyl-5-sulfamoylbenzamide
CID 107101066
1-cyclopropyl-N-(oxan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612354
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
3-chloro-N-(2-methoxyethyl)-2-methyl-5-sulfamoylbenzamide
CID 107100880
3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide (CID 107100983) is 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide is Cc1c(Cl)cc(S(N)(=O)=O)cc1C(=O)NC1CCCOC1.
What is the InChIKey of 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is YFDPBEZPBFGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-8-11(5-10(6-12(8)14)21(15,18)19)13(17)16-9-3-2-4-20-7-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide?
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 107100983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).