N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide

C21H21FN2O5S2 — CID 19109362

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1F
InChIInChI=1S/C21H21FN2O5S2/c1-24(15-16-6-4-3-5-7-16)31(27,28)18-10-8-17(9-11-18)23-30(25,26)19-12-13-21(29-2)20(22)14-19/h3-14,23H,15H2,1-2H3
InChIKeyXOAOVPYFEPYPMT-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.46
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 19109362) has the molecular formula C21H21FN2O5S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID19109362
Molecular FormulaC21H21FN2O5S2
Molecular Weight464.54 g/mol
Exact Mass464.09
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1F
InChIInChI=1S/C21H21FN2O5S2/c1-24(15-16-6-4-3-5-7-16)31(27,28)18-10-8-17(9-11-18)23-30(25,26)19-12-13-21(29-2)20(22)14-19/h3-14,23H,15H2,1-2H3
InChIKeyXOAOVPYFEPYPMT-UHFFFAOYSA-N
XLogP3.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide 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

N-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzenesulfonamide
CID 1025614
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
1-acetyl-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,3-dihydroindole-5-sulfonamide
CID 24510126
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 18191989
2-[benzyl(methyl)amino]-5-[(3-chloro-4-methoxyphenyl)sulfonylamino]benzoic acid
CID 50766551

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide (CID 19109362) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1F.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is XOAOVPYFEPYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S2/c1-24(15-16-6-4-3-5-7-16)31(27,28)18-10-8-17(9-11-18)23-30(25,26)19-12-13-21(29-2)20(22)14-19/h3-14,23H,15H2,1-2H3.
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 464.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 19109362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).