2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide

C12H16Cl2N2O4S — CID 64688965

IUPAC2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-3-7(6-20-2)16-12(17)8-4-11(21(15,18)19)10(14)5-9(8)13/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyZUNOCMIBQRRAMB-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.80
Rot. Bonds6

About 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide

2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide (PubChem CID 64688965) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
PubChem CID64688965
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-3-7(6-20-2)16-12(17)8-4-11(21(15,18)19)10(14)5-9(8)13/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyZUNOCMIBQRRAMB-UHFFFAOYSA-N
XLogP1.80
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-(1-methoxypropan-2-yl)-5-sulfamoylbenzamide
CID 60637644
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
2,4-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65370659
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 81454215
N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978
3-methoxypropyl 2,4-dichloro-5-sulfamoylbenzoate
CID 65381030
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide (CID 64688965) is 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide is CCC(COC)NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is ZUNOCMIBQRRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c1-3-7(6-20-2)16-12(17)8-4-11(21(15,18)19)10(14)5-9(8)13/h4-5,7H,3,6H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide?
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 355.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 64688965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).