4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide

C10H12Br2ClNO2S — CID 106441744

IUPAC4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12Br2ClNO2S/c1-14(6-2-5-11)17(15,16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyNJARDXUFHHMGGD-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.51
Rot. Bonds5

About 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide

4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide (PubChem CID 106441744) has the molecular formula C10H12Br2ClNO2S and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
PubChem CID106441744
Molecular FormulaC10H12Br2ClNO2S
Molecular Weight405.54 g/mol
Exact Mass402.86
IUPAC Name4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H12Br2ClNO2S/c1-14(6-2-5-11)17(15,16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyNJARDXUFHHMGGD-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
methyl 4-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]butanoate
CID 60715415
4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 61066587
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
4-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387516
4-bromo-2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105420154
methyl 2-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]acetate
CID 39965306
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755380
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 106441786
4-bromo-2-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 47169838

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide (CID 106441744) is 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide is CN(CCCBr)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is NJARDXUFHHMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNO2S/c1-14(6-2-5-11)17(15,16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide?
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 405.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 106441744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).