2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate

C18H15N4O4S- — CID 2228451

IUPAC2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate
SMILESCOc1cccc(/N=C(\[O-])c2cnc(NS(=O)(=O)c3ccccc3)nc2)c1
InChIInChI=1S/C18H16N4O4S/c1-26-15-7-5-6-14(10-15)21-17(23)13-11-19-18(20-12-13)22-27(24,25)16-8-3-2-4-9-16/h2-12H,1H3,(H,21,23)(H,19,20,22)/p-1
InChIKeyUPIMKKWYWHGCDR-UHFFFAOYSA-M
MW383.41 g/mol
LogP1.72
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate

2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate (PubChem CID 2228451) has the molecular formula C18H15N4O4S- and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate
PubChem CID2228451
Molecular FormulaC18H15N4O4S-
Molecular Weight383.41 g/mol
Exact Mass383.08
IUPAC Name2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate
SMILESCOc1cccc(/N=C(\[O-])c2cnc(NS(=O)(=O)c3ccccc3)nc2)c1
InChIInChI=1S/C18H16N4O4S/c1-26-15-7-5-6-14(10-15)21-17(23)13-11-19-18(20-12-13)22-27(24,25)16-8-3-2-4-9-16/h2-12H,1H3,(H,21,23)(H,19,20,22)/p-1
InChIKeyUPIMKKWYWHGCDR-UHFFFAOYSA-M
XLogP1.72
TPSA116.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
CID 122157515
methyl N-cyano-N'-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]carbamimidothioate
CID 169362386
N-(3-methoxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759720
N-(5-methoxypyrimidin-2-yl)-4-[(3-methyl-1,4-dioxonaphthalen-2-ylidene)amino]benzenesulfonamide
CID 91447062
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
N-(5-propoxypyrimidin-2-yl)benzenesulfonamide
CID 23275504

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate?
The IUPAC name of 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate (CID 2228451) is 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate is COc1cccc(/N=C(\[O-])c2cnc(NS(=O)(=O)c3ccccc3)nc2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate?
The InChIKey is UPIMKKWYWHGCDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N4O4S/c1-26-15-7-5-6-14(10-15)21-17(23)13-11-19-18(20-12-13)22-27(24,25)16-8-3-2-4-9-16/h2-12H,1H3,(H,21,23)(H,19,20,22)/p-1.
What are the key properties of 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate?
2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate has a molecular weight of 383.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3-methoxyphenyl)pyrimidine-5-carboximidate is sourced from PubChem (CID 2228451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).