4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide

C16H19BrN2O5S3 — CID 16582822

IUPAC4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Br
InChIInChI=1S/C16H19BrN2O5S3/c1-12-10-14(3-4-15(12)17)26(20,21)18-11-13-2-5-16(25-13)27(22,23)19-6-8-24-9-7-19/h2-5,10,18H,6-9,11H2,1H3
InChIKeyXZWKIJQDMUACHZ-UHFFFAOYSA-N
MW495.44 g/mol
LogP2.32
Rot. Bonds6

About 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide

4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 16582822) has the molecular formula C16H19BrN2O5S3 and a molecular weight of 495.44 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID16582822
Molecular FormulaC16H19BrN2O5S3
Molecular Weight495.44 g/mol
Exact Mass493.96
IUPAC Name4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Br
InChIInChI=1S/C16H19BrN2O5S3/c1-12-10-14(3-4-15(12)17)26(20,21)18-11-13-2-5-16(25-13)27(22,23)19-6-8-24-9-7-19/h2-5,10,18H,6-9,11H2,1H3
InChIKeyXZWKIJQDMUACHZ-UHFFFAOYSA-N
XLogP2.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide 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

methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
CID 16621838
5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine
CID 133373307
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 41322063
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
5-bromo-2-hydroxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 32741753
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
N-[[5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553878
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106612374
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 61127962

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide (CID 16582822) is 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is XZWKIJQDMUACHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O5S3/c1-12-10-14(3-4-15(12)17)26(20,21)18-11-13-2-5-16(25-13)27(22,23)19-6-8-24-9-7-19/h2-5,10,18H,6-9,11H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide?
4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 495.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16582822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).