3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide

C13H19ClN2O4S — CID 65387897

IUPAC3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
SMILESCOCCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-9-11(14)7-10(8-12(9)21(15,18)19)13(17)16(2)5-4-6-20-3/h7-8H,4-6H2,1-3H3,(H2,15,18,19)
InChIKeyUZUMRDDJTKVRND-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.40
Rot. Bonds6

About 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide

3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 65387897) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
PubChem CID65387897
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
SMILESCOCCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-9-11(14)7-10(8-12(9)21(15,18)19)13(17)16(2)5-4-6-20-3/h7-8H,4-6H2,1-3H3,(H2,15,18,19)
InChIKeyUZUMRDDJTKVRND-UHFFFAOYSA-N
XLogP1.40
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65396460
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81063673
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100667
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65396840
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide (CID 65387897) is 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide is COCCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is UZUMRDDJTKVRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-9-11(14)7-10(8-12(9)21(15,18)19)13(17)16(2)5-4-6-20-3/h7-8H,4-6H2,1-3H3,(H2,15,18,19).
What are the key properties of 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide?
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65387897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).