ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate

C10H13N5O4S — CID 138009542

IUPACethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1cccc2nn(C)nc12
InChIInChI=1S/C10H13N5O4S/c1-3-19-10(16)11-14-20(17,18)8-6-4-5-7-9(8)13-15(2)12-7/h4-6,14H,3H2,1-2H3,(H,11,16)
InChIKeyGJAKZGRMXNZFRQ-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.09
Rot. Bonds4

About ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate

ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate (PubChem CID 138009542) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate
PubChem CID138009542
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Nameethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1cccc2nn(C)nc12
InChIInChI=1S/C10H13N5O4S/c1-3-19-10(16)11-14-20(17,18)8-6-4-5-7-9(8)13-15(2)12-7/h4-6,14H,3H2,1-2H3,(H,11,16)
InChIKeyGJAKZGRMXNZFRQ-UHFFFAOYSA-N
XLogP-0.09
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
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ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate
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ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
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ethyl N-[(4-bromo-3-methylphenyl)sulfonylamino]carbamate
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ethyl N-[(2-fluoro-5-methyl-4-nitrophenyl)sulfonylamino]carbamate
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ethyl N-[(5-fluoro-4-methyl-2-nitrophenyl)sulfonylamino]carbamate
CID 126831124
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoate
CID 22775148
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
diethyl 5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 22773021
ethyl 4-[[[2-(benzimidazol-1-yl)acetyl]amino]sulfamoyl]benzoate
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tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate?
The IUPAC name of ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate (CID 138009542) is ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate.
What is the SMILES notation for ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate?
The canonical SMILES for ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate is CCOC(=O)NNS(=O)(=O)c1cccc2nn(C)nc12.
What is the InChIKey of ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate?
The InChIKey is GJAKZGRMXNZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-3-19-10(16)11-14-20(17,18)8-6-4-5-7-9(8)13-15(2)12-7/h4-6,14H,3H2,1-2H3,(H,11,16).
What are the key properties of ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate?
ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate has a molecular weight of 299.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate is sourced from PubChem (CID 138009542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).