N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide

C15H17BrN2O4S2 — CID 31836630

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-12-2-6-14(7-3-12)23(19,20)17-10-11-18-24(21,22)15-8-4-13(16)5-9-15/h2-9,17-18H,10-11H2,1H3
InChIKeyVJDYXDYMAGGYKV-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.01
Rot. Bonds7

About N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide (PubChem CID 31836630) has the molecular formula C15H17BrN2O4S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
PubChem CID31836630
Molecular FormulaC15H17BrN2O4S2
Molecular Weight433.35 g/mol
Exact Mass431.98
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-12-2-6-14(7-3-12)23(19,20)17-10-11-18-24(21,22)15-8-4-13(16)5-9-15/h2-9,17-18H,10-11H2,1H3
InChIKeyVJDYXDYMAGGYKV-UHFFFAOYSA-N
XLogP2.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide (CID 31836630) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is VJDYXDYMAGGYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S2/c1-12-2-6-14(7-3-12)23(19,20)17-10-11-18-24(21,22)15-8-4-13(16)5-9-15/h2-9,17-18H,10-11H2,1H3.
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 433.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 31836630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).