2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C17H15BrClN3O2S — CID 25345807

IUPAC2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H15BrClN3O2S/c1-22-11-10-20-17(22)16(12-6-8-13(19)9-7-12)21-25(23,24)15-5-3-2-4-14(15)18/h2-11,16,21H,1H3/t16-/m1/s1
InChIKeyNQHQGXFCJPMNND-MRXNPFEDSA-N
MW440.75 g/mol
LogP3.90
Rot. Bonds5

About 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 25345807) has the molecular formula C17H15BrClN3O2S and a molecular weight of 440.75 g/mol. Its IUPAC name is 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID25345807
Molecular FormulaC17H15BrClN3O2S
Molecular Weight440.75 g/mol
Exact Mass438.98
IUPAC Name2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1ccnc1[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H15BrClN3O2S/c1-22-11-10-20-17(22)16(12-6-8-13(19)9-7-12)21-25(23,24)15-5-3-2-4-14(15)18/h2-11,16,21H,1H3/t16-/m1/s1
InChIKeyNQHQGXFCJPMNND-MRXNPFEDSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 17416898
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
1-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 24541093
2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
4-chloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 18109066
4-tert-butyl-2,6-dimethyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 27690542
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
6-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166341405
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 42924736
8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
CID 55545410
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 25345807) is 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cn1ccnc1[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is NQHQGXFCJPMNND-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15BrClN3O2S/c1-22-11-10-20-17(22)16(12-6-8-13(19)9-7-12)21-25(23,24)15-5-3-2-4-14(15)18/h2-11,16,21H,1H3/t16-/m1/s1.
What are the key properties of 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 440.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 25345807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).