N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide

C15H17BrN2O2S — CID 62150324

IUPACN-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-17-14-5-3-4-6-15(14)21(19,20)18-11-12-7-9-13(16)10-8-12/h3-10,17-18H,2,11H2,1H3
InChIKeyHSYSNDFEHQYIJV-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.36
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide

N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide (PubChem CID 62150324) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
PubChem CID62150324
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-17-14-5-3-4-6-15(14)21(19,20)18-11-12-7-9-13(16)10-8-12/h3-10,17-18H,2,11H2,1H3
InChIKeyHSYSNDFEHQYIJV-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide
CID 135018070
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62150157
N-[(4-ethylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 106900408
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide (CID 62150324) is N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide?
The InChIKey is HSYSNDFEHQYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-17-14-5-3-4-6-15(14)21(19,20)18-11-12-7-9-13(16)10-8-12/h3-10,17-18H,2,11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide?
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62150324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).