5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide

C16H13BrN4O4S — CID 1000819

IUPAC5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1
InChIInChI=1S/C16H13BrN4O4S/c1-10-8-9-18-16(19-10)21-26(23,24)12-4-2-11(3-5-12)20-15(22)13-6-7-14(17)25-13/h2-9H,1H3,(H,20,22)(H,18,19,21)
InChIKeyCKFRFAISHCAGMI-UHFFFAOYSA-N
MW437.28 g/mol
LogP3.19
Rot. Bonds5

About 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide (PubChem CID 1000819) has the molecular formula C16H13BrN4O4S and a molecular weight of 437.28 g/mol. Its IUPAC name is 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
PubChem CID1000819
Molecular FormulaC16H13BrN4O4S
Molecular Weight437.28 g/mol
Exact Mass435.98
IUPAC Name5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1
InChIInChI=1S/C16H13BrN4O4S/c1-10-8-9-18-16(19-10)21-26(23,24)12-4-2-11(3-5-12)20-15(22)13-6-7-14(17)25-13/h2-9H,1H3,(H,20,22)(H,18,19,21)
InChIKeyCKFRFAISHCAGMI-UHFFFAOYSA-N
XLogP3.19
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1241577
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
CID 986954
5-bromo-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-2-furamide
CID 1235997
3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide
CID 1244069
5-bromo-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1407193
N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)furan-2-carboxamide
CID 1981918
5-bromo-N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)furan-2-carboxamide
CID 27478384
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1076233
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-5-ethyl-2-furamide
CID 1086661
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-5-methylfuran-2-carboxamide
CID 1247653
5-bromo-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}-2-furamide
CID 1293262
N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)furan-2-carboxamide
CID 1912922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide (CID 1000819) is 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1.
What is the InChIKey of 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The InChIKey is CKFRFAISHCAGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O4S/c1-10-8-9-18-16(19-10)21-26(23,24)12-4-2-11(3-5-12)20-15(22)13-6-7-14(17)25-13/h2-9H,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide has a molecular weight of 437.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1000819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).