3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide

C14H19BrN2O3S — CID 55408582

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H19BrN2O3S/c1-10(11-5-6-11)17-14(18)7-8-16-21(19,20)13-4-2-3-12(15)9-13/h2-4,9-11,16H,5-8H2,1H3,(H,17,18)
InChIKeyRAJTZFJVMPMGDD-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.03
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide (PubChem CID 55408582) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
PubChem CID55408582
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C14H19BrN2O3S/c1-10(11-5-6-11)17-14(18)7-8-16-21(19,20)13-4-2-3-12(15)9-13/h2-4,9-11,16H,5-8H2,1H3,(H,17,18)
InChIKeyRAJTZFJVMPMGDD-UHFFFAOYSA-N
XLogP2.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-(3-cyclopentylpropyl)propanamide
CID 55585732
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
3-bromo-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 29262191
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide (CID 55408582) is 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide is CC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide?
The InChIKey is RAJTZFJVMPMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-10(11-5-6-11)17-14(18)7-8-16-21(19,20)13-4-2-3-12(15)9-13/h2-4,9-11,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide has a molecular weight of 375.29 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide is sourced from PubChem (CID 55408582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).