4-bromo-N-(3-methoxypropyl)benzenesulfonamide

C10H14BrNO3S — CID 4619228

IUPAC4-bromo-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyXBNJVYNMKFDEHA-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.76
Rot. Bonds6

About 4-bromo-N-(3-methoxypropyl)benzenesulfonamide

4-bromo-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 4619228) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-bromo-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID4619228
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name4-bromo-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyXBNJVYNMKFDEHA-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
[4-(3-methoxypropylsulfamoyl)phenyl]thiourea
CID 169358592
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-methoxypropyl)benzenesulfonamide (CID 4619228) is 4-bromo-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is XBNJVYNMKFDEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 4-bromo-N-(3-methoxypropyl)benzenesulfonamide?
4-bromo-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 4619228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).