4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide

C11H14BrNO2S — CID 8816866

IUPAC4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H14BrNO2S/c1-8(9-2-3-9)13-16(14,15)11-6-4-10(12)5-7-11/h4-9,13H,2-3H2,1H3/t8-/m1/s1
InChIKeyOOROVBYZIKAMOM-MRVPVSSYSA-N
MW304.21 g/mol
LogP2.53
Rot. Bonds4

About 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide

4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide (PubChem CID 8816866) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
PubChem CID8816866
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H14BrNO2S/c1-8(9-2-3-9)13-16(14,15)11-6-4-10(12)5-7-11/h4-9,13H,2-3H2,1H3/t8-/m1/s1
InChIKeyOOROVBYZIKAMOM-MRVPVSSYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-bromo-2-chloro-N-(1-cyclopropylethyl)benzenesulfonamide
CID 47113577
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
CID 43533575
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8817025
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide (CID 8816866) is 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
The InChIKey is OOROVBYZIKAMOM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-8(9-2-3-9)13-16(14,15)11-6-4-10(12)5-7-11/h4-9,13H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide?
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide is sourced from PubChem (CID 8816866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).