N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide

C11H17N5O4S2 — CID 166239242

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C11H17N5O4S2/c1-15(2)21(17,18)7-6-12-22(19,20)9-4-5-11-10(8-9)13-14-16(11)3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyHERRTGZRRQJTSH-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.86
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide

N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide (PubChem CID 166239242) has the molecular formula C11H17N5O4S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide
PubChem CID166239242
Molecular FormulaC11H17N5O4S2
Molecular Weight347.42 g/mol
Exact Mass347.07
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C11H17N5O4S2/c1-15(2)21(17,18)7-6-12-22(19,20)9-4-5-11-10(8-9)13-14-16(11)3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyHERRTGZRRQJTSH-UHFFFAOYSA-N
XLogP-0.86
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
1-methylbenzotriazole-5-sulfonyl chloride
CID 83671062
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
3-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335914
methyl 4-[(1-methylbenzotriazol-5-yl)methylsulfamoyl]benzoate
CID 66837875
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106333627
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
CID 110760271
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide (CID 166239242) is N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide?
The InChIKey is HERRTGZRRQJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4S2/c1-15(2)21(17,18)7-6-12-22(19,20)9-4-5-11-10(8-9)13-14-16(11)3/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide?
N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide has a molecular weight of 347.42 g/mol, XLogP of -0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1-methylbenzotriazole-5-sulfonamide is sourced from PubChem (CID 166239242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).