3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide

C14H19BrN2O3S — CID 107400412

IUPAC3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H19BrN2O3S/c1-2-17(9-10-4-3-5-10)14(18)11-6-12(15)8-13(7-11)21(16,19)20/h6-8,10H,2-5,9H2,1H3,(H2,16,19,20)
InChIKeyHHMSOEUWCKCJKF-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.36
Rot. Bonds5

About 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide

3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide (PubChem CID 107400412) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
PubChem CID107400412
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
SMILESCCN(CC1CCC1)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H19BrN2O3S/c1-2-17(9-10-4-3-5-10)14(18)11-6-12(15)8-13(7-11)21(16,19)20/h6-8,10H,2-5,9H2,1H3,(H2,16,19,20)
InChIKeyHHMSOEUWCKCJKF-UHFFFAOYSA-N
XLogP2.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
CID 65388297
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65395912
N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65388304
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
3-bromo-N-[(2-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107420186
2-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfanylbenzamide
CID 107402633

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide (CID 107400412) is 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide is CCN(CC1CCC1)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide?
The InChIKey is HHMSOEUWCKCJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-2-17(9-10-4-3-5-10)14(18)11-6-12(15)8-13(7-11)21(16,19)20/h6-8,10H,2-5,9H2,1H3,(H2,16,19,20).
What are the key properties of 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide?
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 107400412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).