4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide

C15H24BrNO2S — CID 65480215

IUPAC4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H24BrNO2S/c1-4-5-6-11-17(13(2)3)20(18,19)15-9-7-14(12-16)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeySENQZZWKMJXDNC-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.17
Rot. Bonds8

About 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide

4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 65480215) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
PubChem CID65480215
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H24BrNO2S/c1-4-5-6-11-17(13(2)3)20(18,19)15-9-7-14(12-16)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeySENQZZWKMJXDNC-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-butan-2-yl-N-butylbenzenesulfonamide
CID 65480214
4-(2-chloroethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63409305
N-(3-bromopropyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 80672135
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 60823872
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
2-(ethylamino)-N-pentyl-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62157057
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
4-(bromomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 65479619
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide (CID 65480215) is 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide is CCCCCN(C(C)C)S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SENQZZWKMJXDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-4-5-6-11-17(13(2)3)20(18,19)15-9-7-14(12-16)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide?
4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 65480215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).