N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide

C16H17BrClNO3S — CID 28560519

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClNO3S/c1-3-22-15-9-8-14(18)10-16(15)23(20,21)19-11(2)12-4-6-13(17)7-5-12/h4-11,19H,3H2,1-2H3/t11-/m1/s1
InChIKeyUWBLRSHQFHMQOM-LLVKDONJSA-N
MW418.74 g/mol
LogP4.54
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide

N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide (PubChem CID 28560519) has the molecular formula C16H17BrClNO3S and a molecular weight of 418.74 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide
PubChem CID28560519
Molecular FormulaC16H17BrClNO3S
Molecular Weight418.74 g/mol
Exact Mass416.98
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrClNO3S/c1-3-22-15-9-8-14(18)10-16(15)23(20,21)19-11(2)12-4-6-13(17)7-5-12/h4-11,19H,3H2,1-2H3/t11-/m1/s1
InChIKeyUWBLRSHQFHMQOM-LLVKDONJSA-N
XLogP4.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.74
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide 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

N-(4-bromophenyl)-2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890368
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
5-bromo-2-ethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673071
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(3-hydroxypropyl)propanamide
CID 43890329
(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861073
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
N-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide (CID 28560519) is N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide?
The InChIKey is UWBLRSHQFHMQOM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17BrClNO3S/c1-3-22-15-9-8-14(18)10-16(15)23(20,21)19-11(2)12-4-6-13(17)7-5-12/h4-11,19H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide has a molecular weight of 418.74 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-5-chloro-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 28560519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).