4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid

C15H21ClN2O5S — CID 45412722

IUPAC4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)(CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl)N1CCOCC1
InChIInChI=1S/C15H21ClN2O5S/c1-15(2,18-5-7-23-8-6-18)10-17-24(21,22)13-9-11(14(19)20)3-4-12(13)16/h3-4,9,17H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyZRWCDTLKSXBUSV-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.43
Rot. Bonds6

About 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid

4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid (PubChem CID 45412722) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
PubChem CID45412722
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)(CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl)N1CCOCC1
InChIInChI=1S/C15H21ClN2O5S/c1-15(2,18-5-7-23-8-6-18)10-17-24(21,22)13-9-11(14(19)20)3-4-12(13)16/h3-4,9,17H,5-8,10H2,1-2H3,(H,19,20)
InChIKeyZRWCDTLKSXBUSV-UHFFFAOYSA-N
XLogP1.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid 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-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
3,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzenesulfonamide
CID 4798669
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
CID 2100657
1-acetyl-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 55509064
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
4-chloro-3-(3-cyanopropylsulfamoyl)benzoic acid
CID 62665661
4-chloro-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 19096061
4-chloro-3-[(3-methylcyclopentyl)methylsulfamoyl]benzoic acid
CID 107411393
4-chloro-3-[(1-methylpyrrol-2-yl)methylsulfamoyl]benzoic acid
CID 106415051
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(methylsulfamoyl)benzamide
CID 24646229
4-chloro-3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoic acid
CID 63296325
N-[2-methoxy-5-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]phenyl]acetamide
CID 8797558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid (CID 45412722) is 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid is CC(C)(CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl)N1CCOCC1.
What is the InChIKey of 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid?
The InChIKey is ZRWCDTLKSXBUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-15(2,18-5-7-23-8-6-18)10-17-24(21,22)13-9-11(14(19)20)3-4-12(13)16/h3-4,9,17H,5-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid?
4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid has a molecular weight of 376.86 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methyl-2-morpholin-4-ylpropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 45412722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).