N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide

C16H18BrNO2S — CID 3772752

IUPACN-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-2-5-13-8-10-15(11-9-13)21(19,20)18-12-14-6-3-4-7-16(14)17/h3-4,6-11,18H,2,5,12H2,1H3
InChIKeyZSKPECYHXPUJJG-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.88
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide

N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide (PubChem CID 3772752) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
PubChem CID3772752
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-2-5-13-8-10-15(11-9-13)21(19,20)18-12-14-6-3-4-7-16(14)17/h3-4,6-11,18H,2,5,12H2,1H3
InChIKeyZSKPECYHXPUJJG-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3792229
N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-propylbenzenesulfonamide
CID 47029544
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
3-amino-4-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 115329072
3-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 3749257
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide (CID 3772752) is N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is ZSKPECYHXPUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-2-5-13-8-10-15(11-9-13)21(19,20)18-12-14-6-3-4-7-16(14)17/h3-4,6-11,18H,2,5,12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide?
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 3772752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).