4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide

C20H26Br2N2O4S2 — CID 3544635

IUPAC4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H26Br2N2O4S2/c21-17-7-11-19(12-8-17)29(25,26)23-15-5-3-1-2-4-6-16-24-30(27,28)20-13-9-18(22)10-14-20/h7-14,23-24H,1-6,15-16H2
InChIKeyJZJZQAHXOXLEFZ-UHFFFAOYSA-N
MW582.38 g/mol
LogP4.81
Rot. Bonds13

About 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide

4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide (PubChem CID 3544635) has the molecular formula C20H26Br2N2O4S2 and a molecular weight of 582.38 g/mol. Its IUPAC name is 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
PubChem CID3544635
Molecular FormulaC20H26Br2N2O4S2
Molecular Weight582.38 g/mol
Exact Mass579.97
IUPAC Name4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H26Br2N2O4S2/c21-17-7-11-19(12-8-17)29(25,26)23-15-5-3-1-2-4-6-16-24-30(27,28)20-13-9-18(22)10-14-20/h7-14,23-24H,1-6,15-16H2
InChIKeyJZJZQAHXOXLEFZ-UHFFFAOYSA-N
XLogP4.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.38
LogP ≤ 54.81
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

4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
tert-butyl N-[7-[(4-bromophenyl)sulfonylamino]heptyl]carbamate
CID 164863853
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
CID 4569214
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
(2S)-2,6-bis[(4-bromophenyl)sulfonylamino]hexanoic acid
CID 86604364
4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 110292936
2-[(4-bromophenyl)sulfonylamino]ethylcarbamic acid
CID 68632814
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide (CID 3544635) is 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide is O=S(=O)(NCCCCCCCCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide?
The InChIKey is JZJZQAHXOXLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Br2N2O4S2/c21-17-7-11-19(12-8-17)29(25,26)23-15-5-3-1-2-4-6-16-24-30(27,28)20-13-9-18(22)10-14-20/h7-14,23-24H,1-6,15-16H2.
What are the key properties of 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide?
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide has a molecular weight of 582.38 g/mol, XLogP of 4.81, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide is sourced from PubChem (CID 3544635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).