5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide

C15H17BrN2O2S — CID 107869104

IUPAC5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-10-3-8-14(17)9-15(10)21(19,20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,17H2,1-2H3/t11-/m0/s1
InChIKeyDIYVLPGUYFQCPQ-NSHDSACASA-N
MW369.28 g/mol
LogP3.38
Rot. Bonds4

About 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide

5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 107869104) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID107869104
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-10-3-8-14(17)9-15(10)21(19,20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,17H2,1-2H3/t11-/m0/s1
InChIKeyDIYVLPGUYFQCPQ-NSHDSACASA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2920405
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
CID 66751883
5-amino-N-but-3-yn-2-yl-2-methylbenzenesulfonamide
CID 114414706
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide (CID 107869104) is 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is DIYVLPGUYFQCPQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-3-8-14(17)9-15(10)21(19,20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,17H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide?
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 107869104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).