2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid

C17H18N2O5S — CID 2813889

IUPAC2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H18N2O5S/c1-11-8-9-12(25(23,24)19(2)3)10-15(11)18-16(20)13-6-4-5-7-14(13)17(21)22/h4-10H,1-3H3,(H,18,20)(H,21,22)
InChIKeySYIBNVMFWLHGOP-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.20
Rot. Bonds5

About 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid

2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid (PubChem CID 2813889) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
PubChem CID2813889
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C17H18N2O5S/c1-11-8-9-12(25(23,24)19(2)3)10-15(11)18-16(20)13-6-4-5-7-14(13)17(21)22/h4-10H,1-3H3,(H,18,20)(H,21,22)
InChIKeySYIBNVMFWLHGOP-UHFFFAOYSA-N
XLogP2.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 3985764
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
CID 26522089
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
CID 30723480
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
CID 24580810

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid (CID 2813889) is 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid?
The InChIKey is SYIBNVMFWLHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-11-8-9-12(25(23,24)19(2)3)10-15(11)18-16(20)13-6-4-5-7-14(13)17(21)22/h4-10H,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid?
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid has a molecular weight of 362.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 2813889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).