N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide

C16H17ClN2O4S — CID 18112583

IUPACN-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O4S/c1-19(10-11-4-3-5-12(17)8-11)16(20)14-9-13(24(18,21)22)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H2,18,21,22)
InChIKeyOHMSTWNHLOOHCY-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.27
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide

N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide (PubChem CID 18112583) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
PubChem CID18112583
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O4S/c1-19(10-11-4-3-5-12(17)8-11)16(20)14-9-13(24(18,21)22)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H2,18,21,22)
InChIKeyOHMSTWNHLOOHCY-UHFFFAOYSA-N
XLogP2.27
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
CID 18115072
N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
N-[(3-chlorophenyl)methyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 26893001
N-[(3-chlorophenyl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 31189281
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
1-[(3-chlorophenyl)methyl]-1,2-dimethyl-3-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111305448

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide (CID 18112583) is N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
The InChIKey is OHMSTWNHLOOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-19(10-11-4-3-5-12(17)8-11)16(20)14-9-13(24(18,21)22)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H2,18,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide?
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide has a molecular weight of 368.84 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 18112583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).