N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide

C17H19N5O3S — CID 7998870

IUPACN-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc21
InChIInChI=1S/C17H19N5O3S/c1-4-22-16-9-8-12(10-15(16)19-20-22)17(23)18-13-6-5-7-14(11-13)26(24,25)21(2)3/h5-11H,4H2,1-3H3,(H,18,23)
InChIKeyFXIOAVFSVZAJGA-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.95
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 7998870) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID7998870
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc21
InChIInChI=1S/C17H19N5O3S/c1-4-22-16-9-8-12(10-15(16)19-20-22)17(23)18-13-6-5-7-14(11-13)26(24,25)21(2)3/h5-11H,4H2,1-3H3,(H,18,23)
InChIKeyFXIOAVFSVZAJGA-UHFFFAOYSA-N
XLogP1.95
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide (CID 7998870) is N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)ccc21.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is FXIOAVFSVZAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-4-22-16-9-8-12(10-15(16)19-20-22)17(23)18-13-6-5-7-14(11-13)26(24,25)21(2)3/h5-11H,4H2,1-3H3,(H,18,23).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 7998870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).