N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline

C15H17BrN2O2S — CID 2225801

IUPACN-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline
SMILESCN(C)S(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H17BrN2O2S/c1-17(2)21(19,20)18(15-6-4-3-5-7-15)12-13-8-10-14(16)11-9-13/h3-11H,12H2,1-2H3
InChIKeyBKVRRWVZRXJIJA-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.26
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline

N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline (PubChem CID 2225801) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline
PubChem CID2225801
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline
SMILESCN(C)S(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H17BrN2O2S/c1-17(2)21(19,20)18(15-6-4-3-5-7-15)12-13-8-10-14(16)11-9-13/h3-11H,12H2,1-2H3
InChIKeyBKVRRWVZRXJIJA-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-[(2R)-butan-2-yl]-3-phenylpropanamide
CID 125096913
2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133249719
2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132636528
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
N-benzyl-N-(4-bromophenyl)-3-methylbenzenesulfonamide
CID 46022840
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
(2S)-2-[(4-bromophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-methylpropanamide
CID 100652314
(2S)-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100666972
N-benzyl-2-(4-bromophenyl)-N-phenylacetamide
CID 18281131
(2S)-2-[[2-[N-(dimethylsulfamoyl)anilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100687846

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline (CID 2225801) is N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline is CN(C)S(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline?
The InChIKey is BKVRRWVZRXJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-17(2)21(19,20)18(15-6-4-3-5-7-15)12-13-8-10-14(16)11-9-13/h3-11H,12H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline?
N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline has a molecular weight of 369.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline is sourced from PubChem (CID 2225801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).