N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide

C21H20ClN3O5S2 — CID 26979177

IUPACN-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O5S2/c1-14-6-7-19(13-21(14)32(29,30)25-18-5-3-4-16(22)12-18)24-31(27,28)20-10-8-17(9-11-20)23-15(2)26/h3-13,24-25H,1-2H3,(H,23,26)
InChIKeyHKTBPVVKSARUHC-UHFFFAOYSA-N
MW493.99 g/mol
LogP4.21
Rot. Bonds7

About N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide (PubChem CID 26979177) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
PubChem CID26979177
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC NameN-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O5S2/c1-14-6-7-19(13-21(14)32(29,30)25-18-5-3-4-16(22)12-18)24-31(27,28)20-10-8-17(9-11-20)23-15(2)26/h3-13,24-25H,1-2H3,(H,23,26)
InChIKeyHKTBPVVKSARUHC-UHFFFAOYSA-N
XLogP4.21
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
3-[[3-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-4-methylbenzoic acid
CID 24502076
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26721810
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263693

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide (CID 26979177) is N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is HKTBPVVKSARUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c1-14-6-7-19(13-21(14)32(29,30)25-18-5-3-4-16(22)12-18)24-31(27,28)20-10-8-17(9-11-20)23-15(2)26/h3-13,24-25H,1-2H3,(H,23,26).
What are the key properties of N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 493.99 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 26979177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).