4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide

C19H21BrN2O4S — CID 155180653

IUPAC4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3C)cc2)ccc1Br
InChIInChI=1S/C19H21BrN2O4S/c1-13-11-15(3-8-18(13)20)19(23)21-16-4-6-17(7-5-16)27(24,25)22-9-10-26-12-14(22)2/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)
InChIKeySMVUSLFROORSKT-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.42
Rot. Bonds4

About 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide

4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide (PubChem CID 155180653) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
PubChem CID155180653
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3C)cc2)ccc1Br
InChIInChI=1S/C19H21BrN2O4S/c1-13-11-15(3-8-18(13)20)19(23)21-16-4-6-17(7-5-16)27(24,25)22-9-10-26-12-14(22)2/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)
InChIKeySMVUSLFROORSKT-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide 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

4-methyl-N-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352466
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
4-bromo-3-(3-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 43429186
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 155180650

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
The IUPAC name of 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide (CID 155180653) is 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3C)cc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
The InChIKey is SMVUSLFROORSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-13-11-15(3-8-18(13)20)19(23)21-16-4-6-17(7-5-16)27(24,25)22-9-10-26-12-14(22)2/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide has a molecular weight of 453.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 155180653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).