3-[(3-bromophenyl)sulfonylamino]propanamide

C9H11BrN2O3S — CID 60639037

IUPAC3-[(3-bromophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O3S/c10-7-2-1-3-8(6-7)16(14,15)12-5-4-9(11)13/h1-3,6,12H,4-5H2,(H2,11,13)
InChIKeyFPWCBSRXLPHDDK-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.60
Rot. Bonds5

About 3-[(3-bromophenyl)sulfonylamino]propanamide

3-[(3-bromophenyl)sulfonylamino]propanamide (PubChem CID 60639037) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]propanamide
PubChem CID60639037
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name3-[(3-bromophenyl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O3S/c10-7-2-1-3-8(6-7)16(14,15)12-5-4-9(11)13/h1-3,6,12H,4-5H2,(H2,11,13)
InChIKeyFPWCBSRXLPHDDK-UHFFFAOYSA-N
XLogP0.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 77036740
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[3-[(3-amino-3-oxopropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907979
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]propanamide (CID 60639037) is 3-[(3-bromophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]propanamide is NC(=O)CCNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]propanamide?
The InChIKey is FPWCBSRXLPHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c10-7-2-1-3-8(6-7)16(14,15)12-5-4-9(11)13/h1-3,6,12H,4-5H2,(H2,11,13).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]propanamide?
3-[(3-bromophenyl)sulfonylamino]propanamide has a molecular weight of 307.17 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 60639037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).