N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

C16H18ClN3O5S2 — CID 55617002

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H18ClN3O5S2/c1-20(26(2,22)23)11-16(21)18-12-6-5-7-13(10-12)27(24,25)19-15-9-4-3-8-14(15)17/h3-10,19H,11H2,1-2H3,(H,18,21)
InChIKeyQKIIYPCVUAWXGA-UHFFFAOYSA-N
MW431.92 g/mol
LogP1.97
Rot. Bonds7

About N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 55617002) has the molecular formula C16H18ClN3O5S2 and a molecular weight of 431.92 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID55617002
Molecular FormulaC16H18ClN3O5S2
Molecular Weight431.92 g/mol
Exact Mass431.04
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H18ClN3O5S2/c1-20(26(2,22)23)11-16(21)18-12-6-5-7-13(10-12)27(24,25)19-15-9-4-3-8-14(15)17/h3-10,19H,11H2,1-2H3,(H,18,21)
InChIKeyQKIIYPCVUAWXGA-UHFFFAOYSA-N
XLogP1.97
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfonylphenyl)acetamide
CID 8844143
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-cyclohexylacetamide
CID 29373732
2,5-dichloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26593136
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)butanamide
CID 55921642
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 26593186
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9068938
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)propanamide
CID 60571618
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30282664

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 55617002) is N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is QKIIYPCVUAWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O5S2/c1-20(26(2,22)23)11-16(21)18-12-6-5-7-13(10-12)27(24,25)19-15-9-4-3-8-14(15)17/h3-10,19H,11H2,1-2H3,(H,18,21).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 431.92 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 55617002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).