methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate

C14H14N4O5S — CID 55559964

IUPACmethyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)nc1
InChIInChI=1S/C14H14N4O5S/c1-23-14(20)9-5-6-12(16-8-9)13(19)17-10-3-2-4-11(7-10)18-24(15,21)22/h2-8,18H,1H3,(H,17,19)(H2,15,21,22)
InChIKeySEDBLHYRKKJOTB-UHFFFAOYSA-N
MW350.36 g/mol
LogP0.74
Rot. Bonds5

About methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 55559964) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID55559964
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC Namemethyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)nc1
InChIInChI=1S/C14H14N4O5S/c1-23-14(20)9-5-6-12(16-8-9)13(19)17-10-3-2-4-11(7-10)18-24(15,21)22/h2-8,18H,1H3,(H,17,19)(H2,15,21,22)
InChIKeySEDBLHYRKKJOTB-UHFFFAOYSA-N
XLogP0.74
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 113226196
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
CID 32642819
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
CID 103754216

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate (CID 55559964) is methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)nc1.
What is the InChIKey of methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is SEDBLHYRKKJOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-23-14(20)9-5-6-12(16-8-9)13(19)17-10-3-2-4-11(7-10)18-24(15,21)22/h2-8,18H,1H3,(H,17,19)(H2,15,21,22).
What are the key properties of methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 350.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 55559964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).