N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide

C17H19ClN2O5S — CID 100501676

IUPACN-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide
SMILESCOc1cc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H19ClN2O5S/c1-11(21)19-12-5-7-13(8-6-12)26(22,23)20(2)15-10-16(24-3)14(18)9-17(15)25-4/h5-10H,1-4H3,(H,19,21)
InChIKeyINLLLZBPAUPQSI-UHFFFAOYSA-N
MW398.87 g/mol
LogP3.14
Rot. Bonds6

About N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide

N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide (PubChem CID 100501676) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide
PubChem CID100501676
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC NameN-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide
SMILESCOc1cc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H19ClN2O5S/c1-11(21)19-12-5-7-13(8-6-12)26(22,23)20(2)15-10-16(24-3)14(18)9-17(15)25-4/h5-10H,1-4H3,(H,19,21)
InChIKeyINLLLZBPAUPQSI-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-methylphenyl)benzamide
CID 2081686
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-fluorophenyl)benzamide
CID 2081743
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 26545356
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 55942705
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
methyl 3-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-4-methylbenzoate
CID 100513252

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide (CID 100501676) is N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide is COc1cc(N(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl.
What is the InChIKey of N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide?
The InChIKey is INLLLZBPAUPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-11(21)19-12-5-7-13(8-6-12)26(22,23)20(2)15-10-16(24-3)14(18)9-17(15)25-4/h5-10H,1-4H3,(H,19,21).
What are the key properties of N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide?
N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide has a molecular weight of 398.87 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 100501676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).