2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide

C13H14N4O3S — CID 114613186

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cn1
InChIInChI=1S/C13H14N4O3S/c14-7-9-5-6-10(8-16-9)21(19,20)17-12-4-2-1-3-11(12)13(15)18/h1-6,8,17H,7,14H2,(H2,15,18)
InChIKeyPRQFTMFLUDXRRB-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.44
Rot. Bonds5

About 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide

2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide (PubChem CID 114613186) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide
PubChem CID114613186
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cn1
InChIInChI=1S/C13H14N4O3S/c14-7-9-5-6-10(8-16-9)21(19,20)17-12-4-2-1-3-11(12)13(15)18/h1-6,8,17H,7,14H2,(H2,15,18)
InChIKeyPRQFTMFLUDXRRB-UHFFFAOYSA-N
XLogP0.44
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide
CID 60617945
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824604
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
CID 56807069

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide (CID 114613186) is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide is NCc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cn1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide?
The InChIKey is PRQFTMFLUDXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-7-9-5-6-10(8-16-9)21(19,20)17-12-4-2-1-3-11(12)13(15)18/h1-6,8,17H,7,14H2,(H2,15,18).
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide?
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide has a molecular weight of 306.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide is sourced from PubChem (CID 114613186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).