N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide

C22H20ClFN2O4S — CID 32749964

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-30-20-12-11-19(25-22(27)13-4-15-2-7-17(24)8-3-15)14-21(20)31(28,29)26-18-9-5-16(23)6-10-18/h2-3,5-12,14,26H,4,13H2,1H3,(H,25,27)
InChIKeyTXLSFIHDQGPYPK-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.86
Rot. Bonds8

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide (PubChem CID 32749964) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
PubChem CID32749964
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-30-20-12-11-19(25-22(27)13-4-15-2-7-17(24)8-3-15)14-21(20)31(28,29)26-18-9-5-16(23)6-10-18/h2-3,5-12,14,26H,4,13H2,1H3,(H,25,27)
InChIKeyTXLSFIHDQGPYPK-UHFFFAOYSA-N
XLogP4.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 55788529
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide (CID 32749964) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide is COc1ccc(NC(=O)CCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is TXLSFIHDQGPYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-30-20-12-11-19(25-22(27)13-4-15-2-7-17(24)8-3-15)14-21(20)31(28,29)26-18-9-5-16(23)6-10-18/h2-3,5-12,14,26H,4,13H2,1H3,(H,25,27).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 462.93 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 32749964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).