4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C18H15BrN4O2S — CID 4666169

IUPAC4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C18H15BrN4O2S/c1-13-10-11-20-18(22-13)23-26(24,25)17-8-6-16(7-9-17)21-12-14-2-4-15(19)5-3-14/h2-12H,1H3,(H,20,22,23)/b21-12+
InChIKeyMNPQLGGQSMPYGY-CIAFOILYSA-N
MW431.32 g/mol
LogP4.10
Rot. Bonds5

About 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 4666169) has the molecular formula C18H15BrN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID4666169
Molecular FormulaC18H15BrN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.01
IUPAC Name4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C18H15BrN4O2S/c1-13-10-11-20-18(22-13)23-26(24,25)17-8-6-16(7-9-17)21-12-14-2-4-15(19)5-3-14/h2-12H,1H3,(H,20,22,23)/b21-12+
InChIKeyMNPQLGGQSMPYGY-CIAFOILYSA-N
XLogP4.10
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfamerazine
CID 5325
Sulfaperin
CID 68933
Sulfamerazine Sodium
CID 15899899
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
N-{2-[(3,5-Dibromo-pyridin-2-ylamino)-methyl]-phenyl}-4-methyl-benzenesulfonamide
CID 3723465
4-[(4-Pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347151
3-[(4-Pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
4-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 653841
2-bromo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084464
N-(2-{[(5-bromo-2-pyridinyl)amino]methyl}phenyl)-4-methylbenzenesulfonamide
CID 1314313
N-{4-[({4-[2-(2-fluorophenyl)vinyl]-2-pyrimidinyl}amino)sulfonyl]phenyl}acetamide
CID 5730682

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 4666169) is 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)n1.
What is the InChIKey of 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is MNPQLGGQSMPYGY-CIAFOILYSA-N. The full InChI is InChI=1S/C18H15BrN4O2S/c1-13-10-11-20-18(22-13)23-26(24,25)17-8-6-16(7-9-17)21-12-14-2-4-15(19)5-3-14/h2-12H,1H3,(H,20,22,23)/b21-12+.
What are the key properties of 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 431.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 4666169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).