N-benzyl-4-bromo-N-methylbenzenesulfonamide

C14H14BrNO2S — CID 669305

IUPACN-benzyl-4-bromo-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3
InChIKeyKFRWABPHUKQHQO-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.27
Rot. Bonds4

About N-benzyl-4-bromo-N-methylbenzenesulfonamide

N-benzyl-4-bromo-N-methylbenzenesulfonamide (PubChem CID 669305) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-benzyl-4-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-N-methylbenzenesulfonamide
PubChem CID669305
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-benzyl-4-bromo-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3
InChIKeyKFRWABPHUKQHQO-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium Tosylate
CID 6100
4-bromo-N-(3-phenylpropyl)benzenesulfonamide
CID 2165962
4-bromo-N-(2-phenylethyl)benzenesulfonamide
CID 795722
4-{2-[(4-Bromobenzyl)amino]ethyl}benzenesulfonamide
CID 4718094
N-benzyl-4-bromo-2-methylbenzenesulfonamide
CID 760027
1-[(4-Bromophenyl)sulfonyl]-4-(3-fluorobenzyl)-1,4-diazepane
CID 3303549
2-Bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 4825019
N-benzyl-2-bromo-N-but-3-enylbenzenesulfonamide
CID 16060184
N-benzyl-2-bromo-N-pent-4-enylbenzenesulfonamide
CID 16060195
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2,4-dibromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 42628501
N-benzyl-2-bromo-N-ethylbenzenesulfonamide
CID 44602054

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-bromo-N-methylbenzenesulfonamide (CID 669305) is N-benzyl-4-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-bromo-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-4-bromo-N-methylbenzenesulfonamide?
The InChIKey is KFRWABPHUKQHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-4-bromo-N-methylbenzenesulfonamide?
N-benzyl-4-bromo-N-methylbenzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 669305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).