2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide

C16H18ClN3O6S2 — CID 45371831

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H18ClN3O6S2/c1-20(28(24,25)13-7-8-15(26-2)14(17)9-13)10-16(21)19-11-3-5-12(6-4-11)27(18,22)23/h3-9H,10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyMTBFYOVDKONSHU-UHFFFAOYSA-N
MW447.92 g/mol
LogP1.26
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 45371831) has the molecular formula C16H18ClN3O6S2 and a molecular weight of 447.92 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID45371831
Molecular FormulaC16H18ClN3O6S2
Molecular Weight447.92 g/mol
Exact Mass447.03
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C16H18ClN3O6S2/c1-20(28(24,25)13-7-8-15(26-2)14(17)9-13)10-16(21)19-11-3-5-12(6-4-11)27(18,22)23/h3-9H,10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyMTBFYOVDKONSHU-UHFFFAOYSA-N
XLogP1.26
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 45373358
butyl 4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45372643
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2540668
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100797081
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[(3-acetamido-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8797485
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202394
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796916

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide (CID 45371831) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is MTBFYOVDKONSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O6S2/c1-20(28(24,25)13-7-8-15(26-2)14(17)9-13)10-16(21)19-11-3-5-12(6-4-11)27(18,22)23/h3-9H,10H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 447.92 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 45371831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).