3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide

C12H17ClN2O3S — CID 65387181

IUPAC3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O3S/c1-4-5-15(3)12(16)9-6-10(13)8(2)11(7-9)19(14,17)18/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyGDSXUHGWPQOTRG-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.78
Rot. Bonds4

About 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide

3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 65387181) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
PubChem CID65387181
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O3S/c1-4-5-15(3)12(16)9-6-10(13)8(2)11(7-9)19(14,17)18/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyGDSXUHGWPQOTRG-UHFFFAOYSA-N
XLogP1.78
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 65388313
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81063673
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65396460
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
N-butyl-5-chloro-N,2-dimethyl-3-sulfamoylbenzamide
CID 82890834
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65370842
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide (CID 65387181) is 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide is CCCN(C)C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is GDSXUHGWPQOTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-4-5-15(3)12(16)9-6-10(13)8(2)11(7-9)19(14,17)18/h6-7H,4-5H2,1-3H3,(H2,14,17,18).
What are the key properties of 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide?
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 304.80 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65387181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).