3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide

C19H18FN5O3S — CID 55946410

IUPAC3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C19H18FN5O3S/c20-15-5-1-3-13(9-15)12-25-29(27,28)16-6-2-4-14(10-16)11-24-19(26)17-18(21)23-8-7-22-17/h1-10,25H,11-12H2,(H2,21,23)(H,24,26)
InChIKeyODSSXGYQXDSAMS-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.61
Rot. Bonds7

About 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 55946410) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID55946410
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1
InChIInChI=1S/C19H18FN5O3S/c20-15-5-1-3-13(9-15)12-25-29(27,28)16-6-2-4-14(10-16)11-24-19(26)17-18(21)23-8-7-22-17/h1-10,25H,11-12H2,(H2,21,23)(H,24,26)
InChIKeyODSSXGYQXDSAMS-UHFFFAOYSA-N
XLogP1.61
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
1-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125456
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871
1-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942157
2-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111068655
2-(3-fluorophenyl)-N-[[3-(2-methylpropylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16666176
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide (CID 55946410) is 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1.
What is the InChIKey of 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is ODSSXGYQXDSAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c20-15-5-1-3-13(9-15)12-25-29(27,28)16-6-2-4-14(10-16)11-24-19(26)17-18(21)23-8-7-22-17/h1-10,25H,11-12H2,(H2,21,23)(H,24,26).
What are the key properties of 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 55946410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).