3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide

C14H19BrN2O3S — CID 81479678

IUPAC3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C14H19BrN2O3S/c1-3-6-17(11-4-5-11)14(18)10-7-12(15)9(2)13(8-10)21(16,19)20/h7-8,11H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyHHVYCHNQDCKDGR-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.42
Rot. Bonds5

About 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide

3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 81479678) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
PubChem CID81479678
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C14H19BrN2O3S/c1-3-6-17(11-4-5-11)14(18)10-7-12(15)9(2)13(8-10)21(16,19)20/h7-8,11H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyHHVYCHNQDCKDGR-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
5-bromo-3-[cyclopropyl(propyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370705
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
2-propoxyethyl 3-bromo-4-methyl-5-sulfamoylbenzoate
CID 81480042
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide (CID 81479678) is 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide is CCCN(C(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is HHVYCHNQDCKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-3-6-17(11-4-5-11)14(18)10-7-12(15)9(2)13(8-10)21(16,19)20/h7-8,11H,3-6H2,1-2H3,(H2,16,19,20).
What are the key properties of 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide?
3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81479678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).