3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide

C13H19ClN2O3S — CID 65388313

IUPAC3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCCN(C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1)C(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-5-16(8(2)3)13(17)10-6-11(14)9(4)12(7-10)20(15,18)19/h6-8H,5H2,1-4H3,(H2,15,18,19)
InChIKeyIYWQURSXBYFXKV-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.17
Rot. Bonds4

About 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide

3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 65388313) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
PubChem CID65388313
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCCN(C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1)C(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-5-16(8(2)3)13(17)10-6-11(14)9(4)12(7-10)20(15,18)19/h6-8H,5H2,1-4H3,(H2,15,18,19)
InChIKeyIYWQURSXBYFXKV-UHFFFAOYSA-N
XLogP2.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-chloro-4-methyl-5-sulfamoylbenzoyl chloride
CID 21394744
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
3-chloro-N-(3-methoxypropyl)-N,4-dimethyl-5-sulfamoylbenzamide
CID 65387897
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
5-[ethyl(propan-2-yl)carbamoyl]-2-fluoro-3-methylbenzenesulfonyl chloride
CID 65371075
5-chloro-2-methyl-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 82878197
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
3,4-dichloro-N-ethyl-5-nitro-N-propan-2-ylbenzamide
CID 43377659
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide (CID 65388313) is 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide is CCN(C(=O)c1cc(Cl)c(C)c(S(N)(=O)=O)c1)C(C)C.
What is the InChIKey of 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is IYWQURSXBYFXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-5-16(8(2)3)13(17)10-6-11(14)9(4)12(7-10)20(15,18)19/h6-8H,5H2,1-4H3,(H2,15,18,19).
What are the key properties of 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-methyl-N-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).